ChemSpider 2D Image | Methyl [(5-{[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate | C19H17N5O7S3

Methyl [(5-{[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

  • Molecular FormulaC19H17N5O7S3
  • Average mass523.563 Da
  • Monoisotopic mass523.028992 Da
  • ChemSpider ID80997591

More details:






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

[(5-{[N-(4-Nitrophényl)-N-(phénylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[2-[(4-nitrophenyl)(phenylsulfonyl)amino]acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]-, methyl ester [ACD/Index Name]
Methyl [(5-{[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(5-{[N-(4-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.52
ACD/KOC (pH 5.5): 663.44
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 49.43
ACD/KOC (pH 7.4): 533.08
Polar Surface Area: 226 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site






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