ChemSpider 2D Image | 4-{[3-(3-Methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid | C16H18N2O6S2

4-{[3-(3-Methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid

  • Molecular FormulaC16H18N2O6S2
  • Average mass398.454 Da
  • Monoisotopic mass398.060638 Da
  • ChemSpider ID35393595

More details:

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

4-{[3-(3-Methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-yliden]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
4-{[3-(3-Methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-{[3-(3-méthoxyphényl)-5,5-dioxydotétrahydrothiéno[3,4-d][1,3]thiazol-2(3H)-ylidène]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[tetrahydro-3-(3-methoxyphenyl)-5,5-dioxidothieno[3,4-d]thiazol-2(3H)-ylidene]amino]- [ACD/Index 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: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 252.4±7.0 cm3

Click to predict properties on the Chemicalize site


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