ChemSpider 2D Image | 3-(2-Phenylethyl)-7-[3-(trifluoromethyl)benzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine | C22H23F3N4

3-(2-Phenylethyl)-7-[3-(trifluoromethyl)benzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine

  • Molecular FormulaC22H23F3N4
  • Average mass400.440 Da
  • Monoisotopic mass400.187469 Da
  • ChemSpider ID22164565

More details:

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

3-(2-Phenylethyl)-7-[3-(trifluormethyl)benzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin [German] [ACD/IUPAC Name]
3-(2-Phenylethyl)-7-[3-(trifluoromethyl)benzyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine [ACD/IUPAC Name]
3-(2-Phényléthyl)-7-[3-(trifluorométhyl)benzyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépine [French] [ACD/IUPAC Name]
5H-1,2,4-Triazolo[4,3-d][1,4]diazepine, 6,7,8,9-tetrahydro-3-(2-phenylethyl)-7-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.1±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 107.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 47.85
ACD/KOC (pH 5.5): 265.29
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 554.19
ACD/KOC (pH 7.4): 3072.36
Polar Surface Area: 34 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

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