ChemSpider 2D Image | Ethyl 2-({[(5-{[4-(dimethylsulfamoyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate | C22H23N5O6S3

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

  • Molecular FormulaC22H23N5O6S3
  • Average mass549.643 Da
  • Monoisotopic mass549.081055 Da
  • ChemSpider ID20895833

More details:

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

2-({2-[(5-{[4-(Diméthylsulfamoyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[5-[[4-[(dimethylamino)sulfonyl]benzoyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(5-{[4-(dimethylsulfamoyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-2-({[(5-{[4-(dimethylsulfamoyl)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
ethyl 2-(2-((5-(4-(N,N-dimethylsulfamoyl)benzamido)-1,3,4-thiadiazol-2-yl)thio)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: 1.673
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.24
ACD/KOC (pH 5.5): 1699.93
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 161.12
ACD/KOC (pH 7.4): 1194.80
Polar Surface Area: 210 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 365.4±5.0 cm3

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