ChemSpider 2D Image | 2-(4-Chlorophenyl)-7-methyl-5-(4-pyridinyl)-1H-1,3,4-benzotriazepine | C20H15ClN4

2-(4-Chlorophenyl)-7-methyl-5-(4-pyridinyl)-1H-1,3,4-benzotriazepine

  • Molecular FormulaC20H15ClN4
  • Average mass346.813 Da
  • Monoisotopic mass346.098511 Da
  • ChemSpider ID17826179

More details:






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

2-(4-Chlorophenyl)-7-methyl-5-(4-pyridinyl)-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
2-(4-Chlorophényl)-7-méthyl-5-(4-pyridinyl)-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]
2-(4-Chloro-phenyl)-7-methyl-5-pyridin-4-yl-3H-benzo[e][1,2,4]triazepine
2-(4-Chlorphenyl)-7-methyl-5-(4-pyridinyl)-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
3H-1,3,4-Benzotriazepine, 2-(4-chlorophenyl)-7-methyl-5-(4-pyridinyl)- [ACD/Index Name]

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

ZINC04129648 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 539.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.2±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 651.15
ACD/KOC (pH 5.5): 3557.91
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 674.70
ACD/KOC (pH 7.4): 3686.57
Polar Surface Area: 50 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 267.7±7.0 cm3

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