ChemSpider 2D Image | N-[(2-Amino-1,3-thiazol-4-yl)methyl]-3-cyano-5-fluorobenzamide | C12H9FN4OS

N-[(2-Amino-1,3-thiazol-4-yl)methyl]-3-cyano-5-fluorobenzamide

  • Molecular FormulaC12H9FN4OS
  • Average mass276.289 Da
  • Monoisotopic mass276.048096 Da
  • ChemSpider ID22353254

More details:

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

Benzamide, N-[(2-amino-4-thiazolyl)methyl]-3-cyano-5-fluoro- [ACD/Index Name]
N-[(2-Amino-1,3-thiazol-4-yl)methyl]-3-cyan-5-fluorbenzamid [German] [ACD/IUPAC Name]
N-[(2-Amino-1,3-thiazol-4-yl)methyl]-3-cyano-5-fluorobenzamide [ACD/IUPAC Name]
N-[(2-Amino-1,3-thiazol-4-yl)méthyl]-3-cyano-5-fluorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.9±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 63.80
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 65.04
Polar Surface Area: 120 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 188.6±5.0 cm3

Click to predict properties on the Chemicalize site


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