ChemSpider 2D Image | pibrentasvir | C57H65F5N10O8

pibrentasvir

  • Molecular FormulaC57H65F5N10O8
  • Average mass1113.180 Da
  • Monoisotopic mass1112.490723 Da
  • ChemSpider ID35013016

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{(2S,3R)-1-[(2S)-2-{5-[(2R,5R)-1-{3,5-Difluoro-4-[4-(4-fluorophényl)-1-pipéridinyl]phényl}-5-(6-fluoro-2-{(2S)-1-[N-(méthoxycarbonyl)-O-méthyl-L-thréonyl]-2-pyrrolidinyl}-1H-benzimidazol-5-yl)-2-pyrro lidinyl]-6-fluoro-1H-benzimidazol-2-yl}-1-pyrrolidinyl]-3-méthoxy-1-oxo-2-butanyl}carbamate de méthyle [French] [ACD/IUPAC Name]
1353900-92-1 [RN]
2WU922TK3L
Carbamic acid, N,N'-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis[(6-fluoro-1H-benzimidazole-5,2-diyl)(2S)-2,1-pyrrolidinediyl[(1S)-1-[(1R)-1-methoxyeth yl]-2-oxo-2,1-ethanediyl]]]bis-, dimethyl ester [ACD/Index Name]
Methyl {(2S,3R)-1-[(2S)-2-{5-[(2R,5R)-1-{3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl}-5-(6-fluoro-2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]-2-pyrrolidinyl}-1H-benzimidazol-5-yl)- 2-pyrrolidinyl]-6-fluoro-1H-benzimidazol-2-yl}-1-pyrrolidinyl]-3-methoxy-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
Methyl-{(2S,3R)-1-[(2S)-2-{5-[(2R,5R)-1-{3,5-difluor-4-[4-(4-fluorphenyl)-1-piperidinyl]phenyl}-5-(6-fluor-2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]-2-pyrrolidinyl}-1H-benzimidazol-5-yl)-2-p yrrolidinyl]-6-fluor-1H-benzimidazol-2-yl}-1-pyrrolidinyl]-3-methoxy-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
pibrentasvir [INN] [USAN]
pibrentasvir [French] [INN]
pibrentasvir [Spanish] [INN]
пибрентасвир [Russian] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10260 [DBID]
A-1325912.0 [DBID]
ABT-530 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.614
    Molar Refractivity: 284.5±0.3 cm3
    #H bond acceptors: 18
    #H bond donors: 4
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 3
    ACD/LogP: 8.71
    ACD/LogD (pH 5.5): 6.80
    ACD/BCF (pH 5.5): 50804.77
    ACD/KOC (pH 5.5): 43387.09
    ACD/LogD (pH 7.4): 7.72
    ACD/BCF (pH 7.4): 423147.75
    ACD/KOC (pH 7.4): 361366.69
    Polar Surface Area: 200 Å2
    Polarizability: 112.8±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 816.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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