ChemSpider 2D Image | 1-[(5-Chloro-2-thienyl)sulfonyl]-N-{3-[(methoxycarbonyl)carbamoyl]-4,5-dimethyl-2-thienyl}prolinamide | C18H20ClN3O6S3

1-[(5-Chloro-2-thienyl)sulfonyl]-N-{3-[(methoxycarbonyl)carbamoyl]-4,5-dimethyl-2-thienyl}prolinamide

  • Molecular FormulaC18H20ClN3O6S3
  • Average mass506.016 Da
  • Monoisotopic mass505.020264 Da
  • ChemSpider ID20747960

More details:

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

1-[(5-Chlor-2-thienyl)sulfonyl]-N-{3-[(methoxycarbonyl)carbamoyl]-4,5-dimethyl-2-thienyl}prolinamid [German] [ACD/IUPAC Name]
1-[(5-Chloro-2-thienyl)sulfonyl]-N-{3-[(methoxycarbonyl)carbamoyl]-4,5-dimethyl-2-thienyl}prolinamide [ACD/IUPAC Name]
1-[(5-Chloro-2-thiényl)sulfonyl]-N-{3-[(méthoxycarbonyl)carbamoyl]-4,5-diméthyl-2-thiényl}prolinamide [French] [ACD/IUPAC Name]
Carbamic acid, N-[[2-[[[1-[(5-chloro-2-thienyl)sulfonyl]-2-pyrrolidinyl]carbonyl]amino]-4,5-dimethyl-3-thienyl]carbonyl]-, methyl ester [ACD/Index Name]
methyl (2-(1-((5-chlorothiophen-2-yl)sulfonyl)pyrrolidine-2-carboxamido)-4,5-dimethylthiophene-3-carbonyl)carbamate

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: 1.641
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 364.85
ACD/KOC (pH 5.5): 2374.45
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 364.36
ACD/KOC (pH 7.4): 2371.28
Polar Surface Area: 187 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

Click to predict properties on the Chemicalize site


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