ChemSpider 2D Image | Tetrahydro-2H-pyran-4-yl 7-(2-chlorophenyl)-1,4-thiazepane-4-carboxylate | C17H22ClNO3S

Tetrahydro-2H-pyran-4-yl 7-(2-chlorophenyl)-1,4-thiazepane-4-carboxylate

  • Molecular FormulaC17H22ClNO3S
  • Average mass355.879 Da
  • Monoisotopic mass355.100891 Da
  • ChemSpider ID31083085

More details:

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

1,4-Thiazepine-4(5H)-carboxylic acid, 7-(2-chlorophenyl)tetrahydro-, tetrahydro-2H-pyran-4-yl ester [ACD/Index Name]
7-(2-Chlorophényl)-1,4-thiazépane-4-carboxylate de tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-yl 7-(2-chlorophenyl)-1,4-thiazepane-4-carboxylate [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-yl-7-(2-chlorphenyl)-1,4-thiazepan-4-carboxylat [German] [ACD/IUPAC Name]
1797093-41-4 [RN]
oxan-4-yl 7-(2-chlorophenyl)-1,4-thiazepane-4-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 476.38
ACD/KOC (pH 5.5): 2873.97
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 476.38
ACD/KOC (pH 7.4): 2873.97
Polar Surface Area: 64 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

Click to predict properties on the Chemicalize site


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