ChemSpider 2D Image | N-[(3aS,6aS)-3-(3-Chloro-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide | C14H15ClN2O4S2

N-[(3aS,6aS)-3-(3-Chloro-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide

  • Molecular FormulaC14H15ClN2O4S2
  • Average mass374.863 Da
  • Monoisotopic mass374.016174 Da
  • ChemSpider ID35455533

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(3aS,6aS)-3-(3-chloro-4-methoxyphenyl)tetrahydro-5,5-dioxidothieno[3,4-d]thiazol-2(3H)-ylidene]- [ACD/Index Name]
N-[(3aS,6aS)-3-(3-Chlor-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-yliden]acetamid [German] [ACD/IUPAC Name]
N-[(3aS,6aS)-3-(3-Chloro-4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide [ACD/IUPAC Name]
N-[(3aS,6aS)-3-(3-Chloro-4-méthoxyphényl)-5,5-dioxydotétrahydrothiéno[3,4-d][1,3]thiazol-2(3H)-ylidène]acétamide [French] [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: 621.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.84
ACD/KOC (pH 5.5): 165.64
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 165.64
Polar Surface Area: 110 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 234.1±7.0 cm3

Click to predict properties on the Chemicalize site


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