ChemSpider 2D Image | 2-{4-[(4,5-Dibromo-2-thienyl)carbonyl]-1,4-diazepan-1-yl}acetamide | C12H15Br2N3O2S

2-{4-[(4,5-Dibromo-2-thienyl)carbonyl]-1,4-diazepan-1-yl}acetamide

  • Molecular FormulaC12H15Br2N3O2S
  • Average mass425.139 Da
  • Monoisotopic mass422.925171 Da
  • ChemSpider ID48471993

More details:

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

1H-1,4-Diazepine-1-acetamide, 4-[(4,5-dibromo-2-thienyl)carbonyl]hexahydro- [ACD/Index Name]
2-{4-[(4,5-Dibrom-2-thienyl)carbonyl]-1,4-diazepan-1-yl}acetamid [German] [ACD/IUPAC Name]
2-{4-[(4,5-Dibromo-2-thienyl)carbonyl]-1,4-diazepan-1-yl}acetamide [ACD/IUPAC Name]
2-{4-[(4,5-Dibromo-2-thiényl)carbonyl]-1,4-diazépan-1-yl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 582.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 147.20
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 12.01
ACD/KOC (pH 7.4): 205.95
Polar Surface Area: 95 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 243.6±3.0 cm3

Click to predict properties on the Chemicalize site


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