ChemSpider 2D Image | Ethyl 4-({N-[2-(3,4-dichlorophenyl)-3-methylbutanoyl]-4-fluorophenylalanyl}amino)benzoate | C29H29Cl2FN2O4

Ethyl 4-({N-[2-(3,4-dichlorophenyl)-3-methylbutanoyl]-4-fluorophenylalanyl}amino)benzoate

  • Molecular FormulaC29H29Cl2FN2O4
  • Average mass559.456 Da
  • Monoisotopic mass558.148865 Da
  • ChemSpider ID120795494

More details:

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

4-({N-[2-(3,4-Dichlorophényl)-3-méthylbutanoyl]-4-fluorophénylalanyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[2-(3,4-dichlorophenyl)-3-methyl-1-oxobutyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({N-[2-(3,4-dichlorophenyl)-3-methylbutanoyl]-4-fluorophenylalanyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({N-[2-(3,4-dichlorphenyl)-3-methylbutanoyl]-4-fluorphenylalanyl}amino)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55163.77
ACD/KOC (pH 5.5): 86229.83
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55163.40
ACD/KOC (pH 7.4): 86229.26
Polar Surface Area: 85 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 432.9±3.0 cm3

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