ChemSpider 2D Image | 2,5-Bis(4-fluorophenyl)-7-isopropyl-1H-1,3,4-benzotriazepine | C23H19F2N3

2,5-Bis(4-fluorophenyl)-7-isopropyl-1H-1,3,4-benzotriazepine

  • Molecular FormulaC23H19F2N3
  • Average mass375.414 Da
  • Monoisotopic mass375.154694 Da
  • ChemSpider ID17832624

More details:

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

2,5-Bis(4-fluorophenyl)-7-isopropyl-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
2,5-Bis(4-fluorophényl)-7-isopropyl-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]
2,5-Bis-(4-fluoro-phenyl)-7-isopropyl-3H-benzo[e][1,2,4]triazepine
2,5-Bis(4-fluorphenyl)-7-isopropyl-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
3H-1,3,4-Benzotriazepine, 2,5-bis(4-fluorophenyl)-7-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5038.86
ACD/KOC (pH 5.5): 15541.50
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5048.11
ACD/KOC (pH 7.4): 15570.03
Polar Surface Area: 37 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 306.8±7.0 cm3

Click to predict properties on the Chemicalize site


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