ChemSpider 2D Image | ravidasvir | C42H50N8O6

ravidasvir

  • Molecular FormulaC42H50N8O6
  • Average mass762.896 Da
  • Monoisotopic mass762.385315 Da
  • ChemSpider ID31141686
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(2S)-1-{(2S)-2-[4-(6-{2-[(2S)-1-{(2S)-2-[(Méthoxycarbonyl)amino]-3-méthylbutanoyl}-2-pyrrolidinyl]-1H-benzimidazol-5-yl}-2-naphtyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-méthyl-1-oxo-2-butanyl]carbamat e de méthyle [French] [ACD/IUPAC Name]
10094
1242087-93-9 [RN]
AL3G001BI8
BI 238630
Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-1H-benzimidazol-6-yl]-2-naphthalenyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl ]-2-methylpropyl]-, methyl ester [ACD/Index Name]
Methyl [(2S)-1-{(2S)-2-[4-(6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-benzimidazol-5-yl}-2-naphthyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl] carbamate [ACD/IUPAC Name]
Methyl-[(2S)-1-{(2S)-2-[4-(6-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-2-pyrrolidinyl]-1H-benzimidazol-5-yl}-2-naphthyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}-3-methyl-1-oxo-2-butanyl] carbamat [German] [ACD/IUPAC Name]
PPI-668 free base
ravidasvir [INN] [USAN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1063.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.2±3.0 kJ/mol
Flash Point: 597.0±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 211.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 581.75
ACD/KOC (pH 5.5): 1738.32
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5214.57
ACD/KOC (pH 7.4): 15581.71
Polar Surface Area: 175 Å2
Polarizability: 84.0±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 594.1±3.0 cm3

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