ChemSpider 2D Image | Ethyl N-[cyclohexyl(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)carbamoyl]glycinate | C29H41N3O6S

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

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID4339319

More details:

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

Ethyl N-[cyclohexyl(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)carbamoyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[cyclohexyl(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)carbamoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[cyclohexyl[2-[[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino]-2-oxoethyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-[Cyclohexyl(2-{[2-(3,4-diméthoxyphényl)éthyl][(5-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)carbamoyl]glycinate d'éthyle [French] [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: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.1±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1711.72
ACD/KOC (pH 5.5): 7179.40
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1711.38
ACD/KOC (pH 7.4): 7177.96
Polar Surface Area: 126 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

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