ChemSpider 2D Image | 7-Chloro-N-(3,4-dichlorophenyl)-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide 1,1-dioxide | C17H12Cl3NO4S

7-Chloro-N-(3,4-dichlorophenyl)-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide 1,1-dioxide

  • Molecular FormulaC17H12Cl3NO4S
  • Average mass432.706 Da
  • Monoisotopic mass430.955261 Da
  • ChemSpider ID95721964

More details:

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

1,1-Dioxyde de 7-chloro-N-(3,4-dichlorophényl)-5-oxo-2,3,4,5-tétrahydro-1-benzothiépine-4-carboxamide [French] [ACD/IUPAC Name]
1-Benzothiepin-4-carboxamide, 7-chloro-N-(3,4-dichlorophenyl)-2,3,4,5-tetrahydro-5-oxo-, 1,1-dioxide [ACD/Index Name]
7-Chlor-N-(3,4-dichlorphenyl)-5-oxo-2,3,4,5-tetrahydro-1-benzothiepin-4-carboxamid-1,1-dioxid [German] [ACD/IUPAC Name]
7-Chloro-N-(3,4-dichlorophenyl)-5-oxo-2,3,4,5-tetrahydro-1-benzothiepine-4-carboxamide 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 557.11
ACD/KOC (pH 5.5): 3209.78
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 390.48
ACD/KOC (pH 7.4): 2249.74
Polar Surface Area: 89 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 271.5±3.0 cm3

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