ChemSpider 2D Image | Adozelesin | C30H22N4O4

Adozelesin

  • Molecular FormulaC30H22N4O4
  • Average mass502.520 Da
  • Monoisotopic mass502.164093 Da
  • ChemSpider ID5293205

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

110314-48-2 [RN]
2-Benzofurancarboxamide, N-[2-[[(3bR,4aS)-1,4a,5,8-tetrahydro-3-methyl-8-oxocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl]-1H-indol-5-yl]- [ACD/Index Name]
6N3M4XJR2V
Adolezesin
Adozelesin [USAN] [Wiki]
N-(2-{[(3bR,4aS)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1-benzofuran-2-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[(3bR,4aS)-3-Methyl-8-oxo-1,4a,5,8-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1-benzofuran-2-carboxamide [ACD/IUPAC Name]
N-(2-{[(3bR,4aS)-3-Méthyl-8-oxo-1,4a,5,8-tétrahydrocyclopropa[c]pyrrolo[3,2-e]indol-6(4H)-yl]carbonyl}-1H-indol-5-yl)-1-benzofurane-2-carboxamide [French] [ACD/IUPAC Name]
5-benzo[b]furan-2-ylcarboxamido-2-[3-methyl-7-oxo-(1R,12S)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-ylcarbonyl]-1H-indole
Adosar
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6736 [DBID]
U-73975 [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: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.817
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.40
ACD/KOC (pH 5.5): 574.79
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.67
ACD/KOC (pH 7.4): 577.93
Polar Surface Area: 111 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

Click to predict properties on the Chemicalize site


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