Found 79 results

Search term: MF = 'C_{22}H_{20}FN_{3}S'
ChemSpider 2D Image | 2-(4-tert-Butyl-phenyl)-7-fluoro-5-thiophen-2-yl-3H-benzo[e][1,2,4]triazepine | C22H20FN3S

2-(4-tert-Butyl-phenyl)-7-fluoro-5-thiophen-2-yl-3H-benzo[e][1,2,4]triazepine

  • Molecular FormulaC22H20FN3S
  • Average mass377.478 Da
  • Monoisotopic mass377.136200 Da
  • ChemSpider ID17832462

More details:

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

2-(4-tert-Butyl-phenyl)-7-fluoro-5-thiophen-2-yl-3H-benzo[e][1,2,4]triazepine
3H-1,3,4-Benzotriazepine, 2-[4-(1,1-dimethylethyl)phenyl]-7-fluoro-5-(2-thienyl)- [ACD/Index Name]
7-Fluor-2-[4-(2-methyl-2-propanyl)phenyl]-5-(2-thienyl)-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
7-Fluoro-2-[4-(2-methyl-2-propanyl)phenyl]-5-(2-thienyl)-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
7-Fluoro-2-[4-(2-méthyl-2-propanyl)phényl]-5-(2-thiényl)-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC 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: 515.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 110.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8623.74
ACD/KOC (pH 5.5): 22827.33
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8644.87
ACD/KOC (pH 7.4): 22883.27
Polar Surface Area: 65 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 306.9±7.0 cm3

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