ChemSpider 2D Image | Methyl 4-{[2-({4-[(1,1-dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}amino)butanoyl]amino}benzoate | C23H26N2O8S2

Methyl 4-{[2-({4-[(1,1-dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}amino)butanoyl]amino}benzoate

  • Molecular FormulaC23H26N2O8S2
  • Average mass522.591 Da
  • Monoisotopic mass522.113037 Da
  • ChemSpider ID120729968

More details:

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

4-{[2-({4-[(1,1-Dioxydotétrahydro-3-thiophényl)sulfonyl]benzoyl}amino)butanoyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1-oxo-2-[[4-[(tetrahydro-1,1-dioxido-3-thienyl)sulfonyl]benzoyl]amino]butyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-({4-[(1,1-dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}amino)butanoyl]amino}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-({4-[(1,1-dioxidotetrahydro-3-thiophenyl)sulfonyl]benzoyl}amino)butanoyl]amino}benzoat [German] [ACD/IUPAC 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: 872.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 481.3±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.36
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.36
Polar Surface Area: 170 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 371.7±3.0 cm3

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