ChemSpider 2D Image | Ethyl 4-{[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate | C31H39N3O6S

Ethyl 4-{[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID3749230

More details:

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

4-{[(2-{[2-(3,4-Diméthoxyphényl)éthyl][(5-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)(propyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino]-2-oxoethyl]propylamino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(propyl)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: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3951.07
ACD/KOC (pH 5.5): 13065.40
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3951.04
ACD/KOC (pH 7.4): 13065.29
Polar Surface Area: 126 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 479.3±3.0 cm3

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