ChemSpider 2D Image | Ethyl 4-{(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)[2-(1-pyrrolidinyl)ethyl]amino}-4-oxobutanoate | C30H43N3O6S

Ethyl 4-{(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)[2-(1-pyrrolidinyl)ethyl]amino}-4-oxobutanoate

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID22586944

More details:

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

4-{(2-{[2-(3,4-Diméthoxyphényl)éthyl][(3-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)[2-(1-pyrrolidinyl)éthyl]amino}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino]-2-oxoethyl][2-(1-pyrrolidinyl)ethyl]amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-{(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)[2-(1-pyrrolidinyl)ethyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)[2-(1-pyrrolidinyl)ethyl]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: 722.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 16.66
ACD/KOC (pH 7.4): 98.06
Polar Surface Area: 117 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 486.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement