ChemSpider 2D Image | Ethyl 4-carbamoyl-5-({1-[(5-chloro-2-thienyl)sulfonyl]prolyl}amino)-3-methyl-2-thiophenecarboxylate | C18H20ClN3O6S3

Ethyl 4-carbamoyl-5-({1-[(5-chloro-2-thienyl)sulfonyl]prolyl}amino)-3-methyl-2-thiophenecarboxylate

  • Molecular FormulaC18H20ClN3O6S3
  • Average mass506.016 Da
  • Monoisotopic mass505.020264 Da
  • ChemSpider ID20747964

More details:

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

2-Thiophenecarboxylic acid, 4-(aminocarbonyl)-5-[[[1-[(5-chloro-2-thienyl)sulfonyl]-2-pyrrolidinyl]carbonyl]amino]-3-methyl-, ethyl ester [ACD/Index Name]
4-Carbamoyl-5-({1-[(5-chloro-2-thiényl)sulfonyl]prolyl}amino)-3-méthyl-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-carbamoyl-5-({1-[(5-chloro-2-thienyl)sulfonyl]prolyl}amino)-3-methyl-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-carbamoyl-5-({1-[(5-chlor-2-thienyl)sulfonyl]prolyl}amino)-3-methyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
ethyl 4-carbamoyl-5-(1-((5-chlorothiophen-2-yl)sulfonyl)pyrrolidine-2-carboxamido)-3-methylthiophene-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.98
ACD/KOC (pH 5.5): 1604.33
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.97
ACD/KOC (pH 7.4): 1604.30
Polar Surface Area: 201 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

Click to predict properties on the Chemicalize site


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