ChemSpider 2D Image | 2-(4-Fluorophenyl)-7-methyl-5-phenyl-1H-1,3,4-benzotriazepine | C21H16FN3

2-(4-Fluorophenyl)-7-methyl-5-phenyl-1H-1,3,4-benzotriazepine

  • Molecular FormulaC21H16FN3
  • Average mass329.370 Da
  • Monoisotopic mass329.132813 Da
  • ChemSpider ID17826485

More details:

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

2-(4-Fluorophenyl)-7-methyl-5-phenyl-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
2-(4-Fluorophényl)-7-méthyl-5-phényl-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]
2-(4-Fluoro-phenyl)-7-methyl-5-phenyl-3H-benzo[e][1,2,4]triazepine
2-(4-Fluorphenyl)-7-methyl-5-phenyl-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
3H-1,3,4-Benzotriazepine, 2-(4-fluorophenyl)-7-methyl-5-phenyl- [ACD/Index Name]
2-(4-FLUOROPHENYL)-7-METHYL-5-PHENYL-3H-1,3,4-BENZOTRIAZEPINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4948.09
ACD/KOC (pH 5.5): 15331.55
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4967.32
ACD/KOC (pH 7.4): 15391.15
Polar Surface Area: 37 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 272.7±7.0 cm3

Click to predict properties on the Chemicalize site


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