ChemSpider 2D Image | N-{2-[(3S)-3-({cis-4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide | C29H31F3N6O3

N-{2-[(3S)-3-({cis-4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC29H31F3N6O3
  • Average mass568.590 Da
  • Monoisotopic mass568.240967 Da
  • ChemSpider ID58171732

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[2-[(3S)-3-[[cis-4-hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{2-[(3S)-3-({cis-4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[(3S)-3-({cis-4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoethyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{2-[(3S)-3-({cis-4-Hydroxy-4-[5-(2-pyrimidinyl)-2-pyridinyl]cyclohexyl}amino)-1-pyrrolidinyl]-2-oxoéthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
1341224-83-6 [RN]
1372407-07-2 [RN]
MFCD30478853
N-{2-oxo-2-[(3S)-3-{[(1s,4s)-4-hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl]amino}pyrrolidin-1-yl]ethyl}-3-(trifluoromethyl)benzamide
PF-4136309

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 712.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±3.0 kJ/mol
    Flash Point: 384.5±32.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 143.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): -0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 2.24
    ACD/KOC (pH 7.4): 31.07
    Polar Surface Area: 120 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 67.4±5.0 dyne/cm
    Molar Volume: 405.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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