ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate | C24H28N2O9S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate

  • Molecular FormulaC24H28N2O9S
  • Average mass520.552 Da
  • Monoisotopic mass520.151550 Da
  • ChemSpider ID2617244

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl-3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoat [German] [ACD/IUPAC Name]
3-Méthoxy-4-{2-[(4-méthoxyphényl)amino]-2-oxoéthoxy}benzoate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-4-[2-[(4-methoxyphenyl)amino]-2-oxoethoxy]-, 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: 1.4±0.1 g/cm3
Boiling Point: 831.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.6±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 52.97
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 52.97
Polar Surface Area: 146 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

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