ChemSpider 2D Image | odalasvir | C60H72N8O6

odalasvir

  • Molecular FormulaC60H72N8O6
  • Average mass1001.264 Da
  • Monoisotopic mass1000.557495 Da
  • ChemSpider ID34500837
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

{(2S)-1-[(2S,3aS,7aS)-2-{5-[11-{2-[(2S,3aS,7aS)-1-{(2S)-2-[(Méthoxycarbonyl)amino]-3-méthylbutanoyl}octahydro-1H-indol-2-yl]-1H-benzimidazol-5-yl}tricyclo[8.2.2.24,7]hexadéca-1(12),4,6,10,13,15-hexa én-5-yl]-1H-benzimidazol-2-yl}octahydro-1H-indol-1-yl]-3-méthyl-1-oxo-2-butanyl}carbamate de méthyle [French] [ACD/IUPAC Name]
1415119-52-6 [RN]
9924
Carbamic acid, N,N'-[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1H-benzimidazole-5,2-diyl[(2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl][(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediy l]]]bis-, dimethyl ester [ACD/Index Name]
Methyl {(2S)-1-[(2S,3aS,7aS)-2-{5-[11-{2-[(2S,3aS,7aS)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}octahydro-1H-indol-2-yl]-1H-benzimidazol-5-yl}tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13, 15-hexaen-5-yl]-1H-benzimidazol-2-yl}octahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Methyl-{(2S)-1-[(2S,3aS,7aS)-2-{5-[11-{2-[(2S,3aS,7aS)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}octahydro-1H-indol-2-yl]-1H-benzimidazol-5-yl}tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13, 15-hexaen-5-yl]-1H-benzimidazol-2-yl}octahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
odalasvir [Spanish] [INN]
odalasvir [French] [INN]
odalasvirum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ACH-0143102 [DBID]
ACH-3102 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 286.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 12.53
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 175 Å2
Polarizability: 113.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 810.1±3.0 cm3

Click to predict properties on the Chemicalize site





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