ChemSpider 2D Image | 1,3-Bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urea | C43H38N8O5

1,3-Bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urea

  • Molecular FormulaC43H38N8O5
  • Average mass746.812 Da
  • Monoisotopic mass746.296509 Da
  • ChemSpider ID4450091

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)harnstoff [German] [ACD/IUPAC Name]
1,3-Bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urea [ACD/IUPAC Name]
1,3-Bis(2-{[(1S)-5-hydroxy-1,8-diméthyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urée [French] [ACD/IUPAC Name]
Urea, N,N'-bis[2-[[(1S)-1,6-dihydro-5-hydroxy-1,8-dimethylpyrrolo[3,2-e]indol-3(2H)-yl]carbonyl]-1H-indol-5-yl]- [ACD/Index Name]
BIZ

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.864
Molar Refractivity: 218.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 517.37
ACD/KOC (pH 5.5): 3046.95
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.95
ACD/KOC (pH 7.4): 3044.44
Polar Surface Area: 185 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 95.8±3.0 dyne/cm
Molar Volume: 483.3±3.0 cm3

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