ChemSpider 2D Image | Ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)amino]-4-oxobutanoate | C28H38N2O7S

Ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)amino]-4-oxobutanoate

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID3833573

More details:

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

4-[(2-{[2-(3,4-Diméthoxyphényl)éthyl](2-thiénylméthyl)amino}-2-oxoéthyl)(tétrahydro-2-furanylméthyl)amino]-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino]-2-oxoethyl][(tetrahydro-2-furanyl)methyl]amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.73
ACD/KOC (pH 5.5): 1673.17
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.73
ACD/KOC (pH 7.4): 1673.18
Polar Surface Area: 123 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

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