ChemSpider 2D Image | Ethyl 2-[(4-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C27H30N2O7S2

Ethyl 2-[(4-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID3425372

More details:

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

2-[(4-{[(3,4-Diméthoxyphényl)sulfonyl](méthyl)amino}benzoyl)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[4-[[(3,4-dimethoxyphenyl)sulfonyl]methylamino]benzoyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-[(4-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(4-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}benzoyl)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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11796.03
ACD/KOC (pH 5.5): 28584.93
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11795.96
ACD/KOC (pH 7.4): 28584.78
Polar Surface Area: 148 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 414.7±3.0 cm3

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