ChemSpider 2D Image | [(3-Chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]-2-thienyl}methyl)amino](oxo)acetic acid | C29H27ClN2O5S2

[(3-Chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]-2-thienyl}methyl)amino](oxo)acetic acid

  • Molecular FormulaC29H27ClN2O5S2
  • Average mass583.118 Da
  • Monoisotopic mass582.104980 Da
  • ChemSpider ID17218378

More details:






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

[(3-Chlorbenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]-2-thienyl}methyl)amino](oxo)essigsäure [German] [ACD/IUPAC Name]
[(3-Chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]-2-thienyl}methyl)amino](oxo)acetic acid [ACD/IUPAC Name]
{(3-Chlorobenzyl)[(5-{[(3,3-Diphenylpropyl)amino]sulfonyl}-2-Thienyl)methyl]amino}(Oxo)acetic Acid
Acetic acid, 2-[[(3-chlorophenyl)methyl][[5-[[(3,3-diphenylpropyl)amino]sulfonyl]-2-thienyl]methyl]amino]-2-oxo- [ACD/Index Name]
Acide [(3-chlorobenzyl)({5-[(3,3-diphénylpropyl)sulfamoyl]-2-thiényl}méthyl)amino](oxo)acétique [French] [ACD/IUPAC Name]
7XY

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 775.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.5±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 6.38
ACD/KOC (pH 5.5): 19.02
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 3.21
Polar Surface Area: 140 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

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