ChemSpider 2D Image | (2R)-1-Oxo-1-[(2,4,5-trichlorophenyl)amino]-2-propanyl N-(4-isopropoxybenzoyl)glycinate | C21H21Cl3N2O5

(2R)-1-Oxo-1-[(2,4,5-trichlorophenyl)amino]-2-propanyl N-(4-isopropoxybenzoyl)glycinate

  • Molecular FormulaC21H21Cl3N2O5
  • Average mass487.761 Da
  • Monoisotopic mass486.051605 Da
  • ChemSpider ID62495337

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-Oxo-1-[(2,4,5-trichlorophenyl)amino]-2-propanyl N-(4-isopropoxybenzoyl)glycinate [ACD/IUPAC Name]
(2R)-1-Oxo-1-[(2,4,5-trichlorphenyl)amino]-2-propanyl-N-(4-isopropoxybenzoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[4-(1-methylethoxy)benzoyl]-, (1R)-1-methyl-2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl ester [ACD/Index Name]
N-(4-Isopropoxybenzoyl)glycinate de (2R)-1-oxo-1-[(2,4,5-trichlorophényl)amino]-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 119.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2685.06
ACD/KOC (pH 5.5): 9909.22
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2682.69
ACD/KOC (pH 7.4): 9900.48
Polar Surface Area: 94 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

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