ChemSpider 2D Image | 1-Benzyl-4-[(2,5-dibromophenyl)sulfonyl]-1,4-diazepane | C18H20Br2N2O2S

1-Benzyl-4-[(2,5-dibromophenyl)sulfonyl]-1,4-diazepane

  • Molecular FormulaC18H20Br2N2O2S
  • Average mass488.237 Da
  • Monoisotopic mass485.961212 Da
  • ChemSpider ID69058739

More details:

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

1-Benzyl-4-[(2,5-dibromophenyl)sulfonyl]-1,4-diazepane [ACD/IUPAC Name]
1-Benzyl-4-[(2,5-dibromophényl)sulfonyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1-Benzyl-4-[(2,5-dibromphenyl)sulfonyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(2,5-dibromophenyl)sulfonyl]hexahydro-4-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 548.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.3±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 261.45
ACD/KOC (pH 5.5): 1121.38
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1487.21
ACD/KOC (pH 7.4): 6378.86
Polar Surface Area: 49 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


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