ChemSpider 2D Image | 1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl (3,4-dimethoxyphenyl)acetate | C18H25NO7S

1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl (3,4-dimethoxyphenyl)acetate

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID21689300

More details:

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

(3,4-Diméthoxyphényl)acétate de 1-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl (3,4-dimethoxyphenyl)acetate [ACD/IUPAC Name]
1-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-1-oxo-2-propanyl-(3,4-dimethoxyphenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 3,4-dimethoxy-, 1-methyl-2-[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.30
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 55.30
Polar Surface Area: 108 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

Click to predict properties on the Chemicalize site


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