ChemSpider 2D Image | N-(2-{[(trans-4-{[4-(4-Methyl-2-quinolinyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]amino}-2-oxoethyl)benzamide | C31H37N5O3

N-(2-{[(trans-4-{[4-(4-Methyl-2-quinolinyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]amino}-2-oxoethyl)benzamide

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID21368414

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[2-[[[trans-4-[[4-(4-methyl-2-quinolinyl)-1-piperazinyl]carbonyl]cyclohexyl]methyl]amino]-2-oxoethyl]- [ACD/Index Name]
N-(2-{[(trans-4-{[4-(4-Methyl-2-chinolinyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]amino}-2-oxoethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{[(trans-4-{[4-(4-Méthyl-2-quinoléinyl)-1-pipérazinyl]carbonyl}cyclohexyl)méthyl]amino}-2-oxoéthyl)benzamide [French] [ACD/IUPAC Name]
N-(2-{[(trans-4-{[4-(4-Methyl-2-quinolinyl)-1-piperazinyl]carbonyl}cyclohexyl)methyl]amino}-2-oxoethyl)benzamide [ACD/IUPAC Name]
1212263-79-0 [RN]
AGN-PC-01KGXP
AKOS005574293
MCULE-9922062584
MolPort-002-672-526
N-(2-{[(trans-4-{[4-(4-methylquinolin-2-yl)piperazin-1-yl]carbonyl}cyclohexyl)methyl]amino}-2-oxoethyl)benzamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 860.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 125.0±3.0 kJ/mol
    Flash Point: 474.0±34.3 °C
    Index of Refraction: 1.615
    Molar Refractivity: 151.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.18
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 5.74
    ACD/KOC (pH 5.5): 43.47
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 140.95
    ACD/KOC (pH 7.4): 1068.32
    Polar Surface Area: 95 Å2
    Polarizability: 60.2±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 434.9±3.0 cm3

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