ChemSpider 2D Image | 4,5-Dibromo-N-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]-2-thiophenecarboxamide | C12H15Br2N3O2S

4,5-Dibromo-N-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]-2-thiophenecarboxamide

  • Molecular FormulaC12H15Br2N3O2S
  • Average mass425.139 Da
  • Monoisotopic mass422.925171 Da
  • ChemSpider ID35950965

More details:

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

2-Thiophenecarboxamide, 4,5-dibromo-N-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]- [ACD/Index Name]
4,5-Dibrom-N-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
4,5-Dibromo-N-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
4,5-Dibromo-N-méthyl-N-[2-oxo-2-(1-pipérazinyl)éthyl]-2-thiophènecarboxamide [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: 582.2±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: 305.9±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 102.04
Polar Surface Area: 81 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 246.3±3.0 cm3

Click to predict properties on the Chemicalize site


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