ChemSpider 2D Image | Butyl 4-{[(5-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}-1-benzothiophen-2-yl)carbonyl]amino}benzoate | C29H30N2O7S2

Butyl 4-{[(5-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}-1-benzothiophen-2-yl)carbonyl]amino}benzoate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID68328432

More details:

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

4-{[(5-{[(3,4-Diméthoxyphényl)sulfonyl](méthyl)amino}-1-benzothiophén-2-yl)carbonyl]amino}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[5-[[(3,4-dimethoxyphenyl)sulfonyl]methylamino]benzo[b]thien-2-yl]carbonyl]amino]-, butyl ester [ACD/Index Name]
Butyl 4-{[(5-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}-1-benzothiophen-2-yl)carbonyl]amino}benzoate [ACD/IUPAC Name]
Butyl-4-{[(5-{[(3,4-dimethoxyphenyl)sulfonyl](methyl)amino}-1-benzothiophen-2-yl)carbonyl]amino}benzoat [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: 1.633
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11024.90
ACD/KOC (pH 5.5): 27234.57
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11024.49
ACD/KOC (pH 7.4): 27233.56
Polar Surface Area: 148 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 435.0±3.0 cm3

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