Benzamide, N-[3′-[[[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]amino]...
C40H48N4O6
3033571-35-3 Copyright (C) 2025 ACS
 50 54  0  0  0  0  0  0  0  0999 V2000
   12.3200    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    9.3358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   10.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0800    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1700   13.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   14.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   14.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2500   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   13.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   13.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  2  0  0  0  0
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 17 19  1  0  0  0  0
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 47 49  2  0  0  0  0
 48 50  2  0  0  0  0
 49 50  1  0  0  0  0
M  END
> <cas.rn>
3033571-35-3

> <cas.index.name>
Benzamide, N-[3′-[[[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]amino]carbonyl]-5′-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4′-methyl[1,1′-biphenyl]-3-yl]-2,4-dihydroxy-N-methyl-5-(1-methylethyl)-

> <molecular.formula>
C40H48N4O6

> <molecular.weight>
680.83

> <boiling.point.predicted>
891.952±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.217±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.955±0.48    Most Acidic Temp: 25 °C

$$$$
