ChemSpider 2D Image | amcasertib | C31H33N5O2S

amcasertib

  • Molecular FormulaC31H33N5O2S
  • Average mass539.691 Da
  • Monoisotopic mass539.235474 Da
  • ChemSpider ID58810161

  • Double-bond stereo - Double-bond stereo

More details:

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

1129403-56-0 [RN]
1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(E)-[1,2-dihydro-2-oxo-5-(2-phenyl-4-thiazolyl)-3H-indol-3-ylidene]methyl]-2,4-dimethyl- [ACD/Index Name]
amcasertib [INN] [USAN]
N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-{(E)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydro-3H-indol-3-yliden]methyl}-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-2,4-dimethyl-5-{(E)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1,2-dihydro-3H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-2,4-diméthyl-5-{(E)-[2-oxo-5-(2-phényl-1,3-thiazol-4-yl)-1,2-dihydro-3H-indol-3-ylidène]méthyl}-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
BBI-503(BB-503)
MFCD30489231
N-[2-(diethylamino)ethyl]-5-[[1,2-dihydro-2-oxo-5-(2-phenyl-4-thiazolyl)-3H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.651
    Molar Refractivity: 158.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.72
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 2.57
    ACD/KOC (pH 5.5): 9.53
    ACD/LogD (pH 7.4): 2.98
    ACD/BCF (pH 7.4): 39.41
    ACD/KOC (pH 7.4): 146.28
    Polar Surface Area: 118 Å2
    Polarizability: 62.7±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 433.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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