ChemSpider 2D Image | 1-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-3-(2-{[1-(chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carb onyl}-1H-indol-5-yl)urea | C43H36Cl2N8O5

1-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-3-(2-{[1-(chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carb onyl}-1H-indol-5-yl)urea

  • Molecular FormulaC43H36Cl2N8O5
  • Average mass815.703 Da
  • Monoisotopic mass814.218567 Da
  • ChemSpider ID317092

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-{[(1S)-1-(Chlormethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-3-(2-{[1-(chlormethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbon yl}-1H-indol-5-yl)harnstoff [German] [ACD/IUPAC Name]
1-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-3-(2-{[1-(chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carb onyl}-1H-indol-5-yl)urea [ACD/IUPAC Name]
1-(2-{[(1S)-1-(Chlorométhyl)-5-hydroxy-8-méthyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-3-(2-{[1-(chlorométhyl)-5-hydroxy-8-méthyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carb onyl}-1H-indol-5-yl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[(1S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylpyrrolo[3,2-e]indol-3(2H)-yl]carbonyl]-1H-indol-5-yl]-N'-[2-[[1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylpyrrolo[3,2-e]indol-3(2H)- yl]carbonyl]-1H-indol-5-yl]- [ACD/Index Name]
Analog of CC-1065
Benzo[1,2-b:4,3-b']dipyrrol-4-ol, 6, 6'-[carbonylbis(imino- 1H-indole-5, 2-diylcarbonyl)]bis[8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, [S-(R*,R*)]
Bizelesin [USAN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCI60_004978 [DBID]
NSC615291 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.856
Molar Refractivity: 228.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 678.35
ACD/KOC (pH 5.5): 3698.93
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 677.62
ACD/KOC (pH 7.4): 3694.94
Polar Surface Area: 185 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 95.8±3.0 dyne/cm
Molar Volume: 508.3±3.0 cm3

Click to predict properties on the Chemicalize site


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