ChemSpider 2D Image | 8-Acetamido-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide | C22H19ClN2O3S

8-Acetamido-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

  • Molecular FormulaC22H19ClN2O3S
  • Average mass426.916 Da
  • Monoisotopic mass426.080475 Da
  • ChemSpider ID26326826

More details:

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

8-(Acetylamino)-N-(2-Chlorophenyl)-N-Methyl-4,5-Dihydrothieno[3,2-D][1]benzoxepine-2-Carboxamide
8-Acetamido-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide [ACD/IUPAC Name]
8-Acétamido-N-(2-chlorophényl)-N-méthyl-4,5-dihydrothiéno[3,2-d][1]benzoxépine-2-carboxamide [French] [ACD/IUPAC Name]
8-Acetamido-N-(2-chlorphenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepin-2-carboxamid [German] [ACD/IUPAC Name]
Thieno[3,2-d][1]benzoxepin-2-carboxamide, 8-(acetylamino)-N-(2-chlorophenyl)-4,5-dihydro-N-methyl- [ACD/Index Name]
FAZ
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1796273/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.79
ACD/KOC (pH 5.5): 2350.86
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.79
ACD/KOC (pH 7.4): 2350.87
Polar Surface Area: 87 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

Click to predict properties on the Chemicalize site


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