1-[(2E)-4-[5-(Aminocarbonyl)-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]a...
C37H42N12O6
2138299-29-1 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2138299-29-1

> <ca.index.name>
1H-Benzimidazole-5-carboxamide, 1-[(2E)-4-[5-(aminocarbonyl)-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino]-1H-benzimidazol-1-yl]-2-buten-1-yl]-2-[[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]amino]-7-(3-hydroxypropoxy)-

> <molecular.formula>
C37H42N12O6

> <smiles.canonical>
O=C(N)C=1C=CC2=C(N=C(NC(=O)C3=CC(=NN3CC)C)N2CC=CCN4C(=NC=5C=C(C=C(OCCCO)C54)C(=O)N)NC(=O)C6=CC(=NN6CC)C)C1

> <smiles.isomeric>
C(/C=C/CN1C=2C(N=C1NC(=O)C=3N(CC)N=C(C)C3)=CC(C(N)=O)=CC2)N4C=5C(N=C4NC(=O)C=6N(CC)N=C(C)C6)=CC(C(N)=O)=CC5OCCCO

> <molecular.weight>
750.81

> <density.predicted>
1.473±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.013±0.50    Most Acidic Temp: 25 °C

$$$$
