ChemSpider 2D Image | 1-[(4,5-Dibromo-2-thienyl)carbonyl]-N-ethyl-2-piperazinecarboxamide | C12H15Br2N3O2S

1-[(4,5-Dibromo-2-thienyl)carbonyl]-N-ethyl-2-piperazinecarboxamide

  • Molecular FormulaC12H15Br2N3O2S
  • Average mass425.139 Da
  • Monoisotopic mass422.925171 Da
  • ChemSpider ID35951058

More details:

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

1-[(4,5-Dibrom-2-thienyl)carbonyl]-N-ethyl-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1-[(4,5-Dibromo-2-thienyl)carbonyl]-N-ethyl-2-piperazinecarboxamide [ACD/IUPAC Name]
1-[(4,5-Dibromo-2-thiényl)carbonyl]-N-éthyl-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1-[(4,5-dibromo-2-thienyl)carbonyl]-N-ethyl- [ACD/Index 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: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 8.19
ACD/KOC (pH 7.4): 137.78
Polar Surface Area: 90 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 249.0±3.0 cm3

Click to predict properties on the Chemicalize site


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