ChemSpider 2D Image | Methyl 4-{2-[cyclohexyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethoxy}benzoate | C20H27NO6S

Methyl 4-{2-[cyclohexyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethoxy}benzoate

  • Molecular FormulaC20H27NO6S
  • Average mass409.496 Da
  • Monoisotopic mass409.155914 Da
  • ChemSpider ID22572830

More details:

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

4-{2-[Cyclohexyl(1,1-dioxydotétrahydro-3-thiophényl)amino]-2-oxoéthoxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[cyclohexyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethoxy]-, methyl ester [ACD/Index Name]
Methyl 4-{2-[cyclohexyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethoxy}benzoate [ACD/IUPAC Name]
Methyl-4-{2-[cyclohexyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethoxy}benzoat [German] [ACD/IUPAC 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: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.39
ACD/KOC (pH 5.5): 257.62
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.39
ACD/KOC (pH 7.4): 257.62
Polar Surface Area: 98 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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