ChemSpider 2D Image | 11-(3-Bromophenyl)-10-hexanoyl-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | C32H33BrN2O2

11-(3-Bromophenyl)-10-hexanoyl-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

  • Molecular FormulaC32H33BrN2O2
  • Average mass557.521 Da
  • Monoisotopic mass556.172546 Da
  • ChemSpider ID2917289

More details:

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

11-(3-Bromophenyl)-10-hexanoyl-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one [ACD/IUPAC Name]
11-(3-Bromophényl)-10-hexanoyl-3-(4-méthylphényl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazépin-1-one [French] [ACD/IUPAC Name]
11-(3-Bromphenyl)-10-hexanoyl-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-on [German] [ACD/IUPAC Name]
1H-Dibenzo[b,e][1,4]diazepin-1-one, 11-(3-bromophenyl)-2,3,4,5,10,11-hexahydro-3-(4-methylphenyl)-10-(1-oxohexyl)- [ACD/Index Name]
11-(3-bromophenyl)-10-hexanoyl-3-(4-methylphenyl)-2,3,4-trihydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 7.75
ACD/BCF (pH 5.5): 458603.66
ACD/KOC (pH 5.5): 392660.75
ACD/LogD (pH 7.4): 7.75
ACD/BCF (pH 7.4): 458645.44
ACD/KOC (pH 7.4): 392696.56
Polar Surface Area: 49 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

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