ChemSpider 2D Image | Ethyl 4-{[butyl(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)carbamoyl]amino}benzoate | C31H39N3O6S

Ethyl 4-{[butyl(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)carbamoyl]amino}benzoate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID2851142

More details:

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

4-{[Butyl(2-{[2-(3,4-diméthoxyphényl)éthyl](2-thiénylméthyl)amino}-2-oxoéthyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[butyl[2-[[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino]-2-oxoethyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[butyl(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[butyl(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)carbamoyl]amino}benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 759.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 412.9±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4350.03
ACD/KOC (pH 5.5): 13996.72
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4349.99
ACD/KOC (pH 7.4): 13996.59
Polar Surface Area: 126 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 479.5±3.0 cm3

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