ChemSpider 2D Image | Ethyl N-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)carbamoyl]glycinate | C28H39N3O7S

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

  • Molecular FormulaC28H39N3O7S
  • Average mass561.690 Da
  • Monoisotopic mass561.250854 Da
  • ChemSpider ID3524702

More details:

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

Ethyl N-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)carbamoyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)(tetrahydro-2-furanylmethyl)carbamoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[2-[[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino]-2-oxoethyl][(tetrahydro-2-furanyl)methyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-[(2-{[2-(3,4-Diméthoxyphényl)éthyl][(5-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)(tétrahydro-2-furanylméthyl)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: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.54
ACD/KOC (pH 5.5): 1508.23
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.49
ACD/KOC (pH 7.4): 1507.86
Polar Surface Area: 135 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 462.1±3.0 cm3

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