ChemSpider 2D Image | 4-Bromo-N-[(3R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]benzamide | C23H18BrN3O2

4-Bromo-N-[(3R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]benzamide

  • Molecular FormulaC23H18BrN3O2
  • Average mass448.312 Da
  • Monoisotopic mass447.058228 Da
  • ChemSpider ID18604005

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Brom-N-[(3R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-[(3R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]benzamide [ACD/IUPAC Name]
4-Bromo-N-[(3R)-1-méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-[(3R)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.1±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.61
ACD/KOC (pH 5.5): 1529.57
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.20
ACD/KOC (pH 7.4): 1534.15
Polar Surface Area: 62 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 315.1±7.0 cm3

Click to predict properties on the Chemicalize site


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