ChemSpider 2D Image | N-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-6-(diethylamino)-1-benzofuran-2-carboxamide | C34H32ClN5O4

N-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-6-(diethylamino)-1-benzofuran-2-carboxamide

  • Molecular FormulaC34H32ClN5O4
  • Average mass610.102 Da
  • Monoisotopic mass609.214294 Da
  • ChemSpider ID130043

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Benzofurancarboxamide, N-[2-[[(1S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylpyrrolo[3,2-e]indol-3(2H)-yl]carbonyl]-1H-indol-5-yl]-6-(diethylamino)- [ACD/Index Name]
N-(2-{[(1S)-1-(Chlormethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-6-(diethylamino)-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[(1S)-1-(Chloromethyl)-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-6-(diethylamino)-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-(2-{[(1S)-1-(Chlorométhyl)-5-hydroxy-8-méthyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)-6-(diéthylamino)-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
119813-16-0 [RN]
2-Benzofurancarboxamide, N-(2-((1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1H-indol-5-yl)-6-(diethylamino)-, (S)-
2-BENZOFURANCARBOXAMIDE,N-[2-[[(1S)-1-(CHLOROMETHYL)-1,6-DIHYDRO-5-HYDROXY-8-METHYLBENZO[1,2-B:4,3-B']DIPYRROL-3(2H)-YL]CARBONYL]-1H-INDOL-5-YL]-6-(DIETHYLAMINO)-(9CI)
N-{2-[(1S)-1-(CHLOROMETHYL)-5-HYDROXY-8-METHYL-1H,2H,3H,6H-PYRROLO[3,2-E]INDOLE-3-CARBONYL]-1H-INDOL-5-YL}-6-(DIETHYLAMINO)-1-BENZOFURAN-2-CARBOXAMIDE
N-{2-[(1S)-1-(CHLOROMETHYL)-5-HYDROXY-8-METHYL-1H,2H,6H-PYRROLO[3,2-E]INDOLE-3-CARBONYL]-1H-INDOL-5-YL}-6-(DIETHYLAMINO)-1-BENZOFURAN-2-CARBOXAMIDE
U-76,073

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

U 76073 [DBID]
U-76073 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 811.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 444.8±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1069.16
ACD/KOC (pH 5.5): 4312.83
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1936.55
ACD/KOC (pH 7.4): 7811.70
Polar Surface Area: 118 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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