Tefinostat
C28H37N3O5
914382-60-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  36 38 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.1049 4.6201 0.0 0 CFG=2
M  V30 2 C 3.7711 5.3901 0.0 0
M  V30 3 N 6.4386 5.3901 0.0 0
M  V30 4 O 3.7711 6.9301 0.0 0
M  V30 5 O 2.4374 4.6201 0.0 0
M  V30 6 C 7.7722 4.6201 0.0 0
M  V30 7 N 13.1070 7.7001 0.0 0
M  V30 8 C 14.4407 6.9301 0.0 0
M  V30 9 C 15.7745 7.7001 0.0 0
M  V30 10 O 14.4407 5.3901 0.0 0
M  V30 11 C 17.1082 6.9301 0.0 0
M  V30 12 C 18.4418 7.7001 0.0 0
M  V30 13 C 19.7755 6.9301 0.0 0
M  V30 14 C 21.1093 7.7001 0.0 0
M  V30 15 C 22.4430 6.9301 0.0 0
M  V30 16 C 23.7767 7.7001 0.0 0
M  V30 17 N 25.1103 6.9301 0.0 0
M  V30 18 O 23.7767 9.2402 0.0 0
M  V30 19 O 26.4441 7.7001 0.0 0
M  V30 20 C 5.1049 3.0801 0.0 0
M  V30 21 C 3.7711 2.3100 0.0 0
M  V30 22 C 6.4386 2.3100 0.0 0
M  V30 23 C 3.7711 0.7700 0.0 0
M  V30 24 C 6.4386 0.7700 0.0 0
M  V30 25 C 5.1049 0.0000 0.0 0
M  V30 26 C 2.4374 7.7001 0.0 0
M  V30 27 C 2.2765 9.2317 0.0 0
M  V30 28 C 1.0306 7.0737 0.0 0
M  V30 29 C 0.7700 9.5519 0.0 0
M  V30 30 C 0.0000 8.2182 0.0 0
M  V30 31 C 9.1059 5.3901 0.0 0
M  V30 32 C 10.4397 4.6201 0.0 0
M  V30 33 C 9.1059 6.9301 0.0 0
M  V30 34 C 11.7734 5.3901 0.0 0
M  V30 35 C 10.4397 7.7001 0.0 0
M  V30 36 C 11.7734 6.9301 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3 CFG=1
M  V30 3 1 1 20
M  V30 4 1 2 4
M  V30 5 2 2 5
M  V30 6 1 3 6
M  V30 7 1 4 26
M  V30 8 1 6 31
M  V30 9 1 7 8
M  V30 10 1 7 36
M  V30 11 1 8 9
M  V30 12 2 8 10
M  V30 13 1 9 11
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 1 13 14
M  V30 17 1 14 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 2 16 18
M  V30 21 1 17 19
M  V30 22 2 20 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 24
M  V30 26 2 23 25
M  V30 27 1 24 25
M  V30 28 1 26 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 1 28 30
M  V30 32 1 29 30
M  V30 33 2 31 32
M  V30 34 1 31 33
M  V30 35 1 32 34
M  V30 36 2 33 35
M  V30 37 2 34 36
M  V30 38 1 35 36
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 1)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
914382-60-8

> <cas.index.name>
Benzeneacetic acid, α-[[[4-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]phenyl]methyl]amino]-, cyclopentyl ester, (αS)-

> <molecular.formula>
C28H37N3O5

> <molecular.weight>
495.61

> <density.predicted>
1.21±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.48±0.20    Most Acidic Temp: 25 °C

$$$$
