ChemSpider 2D Image | Methyl {(2S)-1-[(2S)-2-{5-[7-(4-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phenyl)-1,3-benzodioxol-4-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-methyl- 1-oxo-2-butanyl}carbamate | C41H50N8O8

Methyl {(2S)-1-[(2S)-2-{5-[7-(4-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phenyl)-1,3-benzodioxol-4-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-methyl- 1-oxo-2-butanyl}carbamate

  • Molecular FormulaC41H50N8O8
  • Average mass782.885 Da
  • Monoisotopic mass782.375183 Da
  • ChemSpider ID75531292

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(2S)-1-[(2S)-2-{5-[7-(4-{2-[(2S)-1-{(2S)-2-[(Méthoxycarbonyl)amino]-3-méthylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phényl)-1,3-benzodioxol-4-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-méthyl-1-oxo-2 -butanyl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-imidazol-5-yl]-1,3-benzodioxol-4-yl]phenyl]-1H-imidazol-2-yl]-1-pyrrolidi nyl]carbonyl]-2-methylpropyl]-, methyl ester [ACD/Index Name]
Methyl {(2S)-1-[(2S)-2-{5-[7-(4-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phenyl)-1,3-benzodioxol-4-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-methyl- 1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Methyl-{(2S)-1-[(2S)-2-{5-[7-(4-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-imidazol-5-yl}phenyl)-1,3-benzodioxol-4-yl]-1H-imidazol-2-yl}-1-pyrrolidinyl]-3-methyl- 1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
1312608-46-0 [RN]
Coblopasvir
coblopasvirum
methyl N-[(2S)-1-[(2S)-2-[5-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzodioxol-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
коблопасвир [Russian]
كوبلوباسفير [Arabic]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1102.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.5±3.0 kJ/mol
Flash Point: 620.6±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 207.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 298.59
ACD/KOC (pH 5.5): 1288.94
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1465.37
ACD/KOC (pH 7.4): 6325.58
Polar Surface Area: 193 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 602.3±3.0 cm3

Click to predict properties on the Chemicalize site


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