ChemSpider 2D Image | Faldaprevir | C40H49BrN6O9S

Faldaprevir

  • Molecular FormulaC40H49BrN6O9S
  • Average mass869.821 Da
  • Monoisotopic mass868.246521 Da
  • ChemSpider ID26327117

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

801283-95-4 [RN]
BI 201335
Faldaprevir [INN] [USAN] [Wiki]
Faldaprevir [Spanish] [INN]
Faldaprévir [French] [INN]
Faldaprevirum [Latin] [INN]
L-Prolinamide, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-4-[[8-bromo-7-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-4-quinolinyl]oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-, (4R)- [ACD/Index Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-({8-brom-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-chinolinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-méthyl-L-valyl-(4R)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-méthoxy-4-quinoléinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-({8-bromo-2-[2-(isobutyrylamino)-1,3-thiazol-4-yl]-7-methoxy-4-quinolinyl}oxy)-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9497 [DBID]
958X4J301A [DBID]
UNII:958X4J301A [DBID]
UNII-958X4J301A [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.647
    Molar Refractivity: 215.8±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 4
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 5.34
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 171.46
    ACD/KOC (pH 5.5): 624.50
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 2.76
    ACD/KOC (pH 7.4): 10.04
    Polar Surface Area: 227 Å2
    Polarizability: 85.6±0.5 10-24cm3
    Surface Tension: 70.8±5.0 dyne/cm
    Molar Volume: 593.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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