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

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

  • Molecular FormulaC19H17N5O7S3
  • Average mass523.563 Da
  • Monoisotopic mass523.028992 Da
  • ChemSpider ID80984031

More details:

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

[(5-{[N-(3-Nitrophényl)-N-(phénylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[[2-[(3-nitrophenyl)(phenylsulfonyl)amino]acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]-, methyl ester [ACD/Index Name]
Methyl [(5-{[N-(3-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(5-{[N-(3-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: 2.93
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.08
ACD/KOC (pH 5.5): 628.91
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 47.14
ACD/KOC (pH 7.4): 519.38
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

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