ChemSpider 2D Image | 1'-(2,4-Dimethylbenzoyl)-2-(4-fluorobenzyl)-1,5-dihydrospiro[2-benzazepine-4,4'-piperidin]-3(2H)-one | C30H31FN2O2

1'-(2,4-Dimethylbenzoyl)-2-(4-fluorobenzyl)-1,5-dihydrospiro[2-benzazepine-4,4'-piperidin]-3(2H)-one

  • Molecular FormulaC30H31FN2O2
  • Average mass470.578 Da
  • Monoisotopic mass470.236969 Da
  • ChemSpider ID60725232

More details:

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

1'-(2,4-Dimethylbenzoyl)-2-(4-fluorbenzyl)-1,5-dihydrospiro[2-benzazepine-4,4'-piperidin]-3(2H)-on [German] [ACD/IUPAC Name]
1'-(2,4-Dimethylbenzoyl)-2-(4-fluorobenzyl)-1,5-dihydrospiro[2-benzazepine-4,4'-piperidin]-3(2H)-one [ACD/IUPAC Name]
1'-(2,4-Diméthylbenzoyl)-2-(4-fluorobenzyl)-1,5-dihydrospiro[2-benzazepine-4,4'-piperidin]-3(2H)-one [French] [ACD/IUPAC Name]
Spiro[4H-2-benzazepine-4,4'-piperidin]-3(2H)-one, 1'-(2,4-dimethylbenzoyl)-2-[(4-fluorophenyl)methyl]-1,5-dihydro- [ACD/Index Name]
1'-(2,4-dimethylbenzoyl)-2-(4-fluorobenzyl)-1,2-dihydrospiro[benzo[c]azepine-4,4'-piperidin]-3(5H)-one
1-(2,4-dimethylbenzoyl)-2-(4-fluorobenzyl)-1,2-dihydrospiro[benzo[c]azepine-4,4-piperidin]-3(5H)-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 695.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 374.5±31.5 °C
    Index of Refraction: 1.640
    Molar Refractivity: 135.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.05
    ACD/LogD (pH 5.5): 4.84
    ACD/BCF (pH 5.5): 2793.26
    ACD/KOC (pH 5.5): 10193.46
    ACD/LogD (pH 7.4): 4.84
    ACD/BCF (pH 7.4): 2793.27
    ACD/KOC (pH 7.4): 10193.49
    Polar Surface Area: 41 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 56.7±5.0 dyne/cm
    Molar Volume: 377.0±5.0 cm3

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