ChemSpider 2D Image | BMS 813160 | C25H40N8O2

BMS 813160

  • Molecular FormulaC25H40N8O2
  • Average mass484.638 Da
  • Monoisotopic mass484.327423 Da
  • ChemSpider ID71061479

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1286279-29-5 [RN]
Acetamide, N-[(1R,2S,5R)-5-[(1,1-dimethylethyl)amino]-2-[(3S)-3-[[7-(1,1-dimethylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]-2-oxo-1-pyrrolidinyl]cyclohexyl]- [ACD/Index Name]
BMS 813160
N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-3-({7-tert-butylpyrazolo[1,5-a][1,3,5]triazin-4-yl}amino)-2-oxopyrrolidin-1-yl]cyclohexyl]acetamide
N-{(1R,2S,5R)-5-[(2-Methyl-2-propanyl)amino]-2-[(3S)-3-{[7-(2-methyl-2-propanyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino}-2-oxo-1-pyrrolidinyl]cyclohexyl}acetamid [German] [ACD/IUPAC Name]
N-{(1R,2S,5R)-5-[(2-Methyl-2-propanyl)amino]-2-[(3S)-3-{[7-(2-methyl-2-propanyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino}-2-oxo-1-pyrrolidinyl]cyclohexyl}acetamide [ACD/IUPAC Name]
N-{(1R,2S,5R)-5-[(2-Méthyl-2-propanyl)amino]-2-[(3S)-3-{[7-(2-méthyl-2-propanyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino}-2-oxo-1-pyrrolidinyl]cyclohexyl}acétamide [French] [ACD/IUPAC Name]
bms-813160
CID 51039119
MFCD31540731
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.653
    Molar Refractivity: 135.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): -2.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 117 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 369.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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