ChemSpider 2D Image | Ethyl 2-[({[5-({[4-(dimethylsulfamoyl)benzoyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate | C23H25N5O7S2

Ethyl 2-[({[5-({[4-(dimethylsulfamoyl)benzoyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate

  • Molecular FormulaC23H25N5O7S2
  • Average mass547.604 Da
  • Monoisotopic mass547.119568 Da
  • ChemSpider ID20807499

More details:

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

2-[(2-{[5-({[4-(Diméthylsulfamoyl)benzoyl]amino}méthyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[5-[[[4-[(dimethylamino)sulfonyl]benzoyl]amino]methyl]-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[5-({[4-(dimethylsulfamoyl)benzoyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-2-[({[5-({[4-(dimethylsulfamoyl)benzoyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
921045-62-7 [RN]
ethyl 2-(2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
ethyl 2-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.18
ACD/KOC (pH 5.5): 360.21
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.17
ACD/KOC (pH 7.4): 360.15
Polar Surface Area: 194 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

Click to predict properties on the Chemicalize site


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