ChemSpider 2D Image | Ethyl 2-({N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H29ClN2O6S2

Ethyl 2-({N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H29ClN2O6S2
  • Average mass577.112 Da
  • Monoisotopic mass576.115540 Da
  • ChemSpider ID79630234

More details:

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

2-({N-(5-Chloro-2-méthoxyphényl)-N-[(4-méthylphényl)sulfonyl]glycyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[2-[(5-chloro-2-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({N-(5-chlor-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18866.40
ACD/KOC (pH 5.5): 40005.96
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18866.15
ACD/KOC (pH 7.4): 40005.43
Polar Surface Area: 139 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 417.5±3.0 cm3

Click to predict properties on the Chemicalize site


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