ChemSpider 2D Image | 2-({4-[(4-Ethoxyphenyl)carbamoyl]phenyl}amino)-2-oxoethyl 4-[(cyanoacetyl)amino]benzoate | C27H24N4O6

2-({4-[(4-Ethoxyphenyl)carbamoyl]phenyl}amino)-2-oxoethyl 4-[(cyanoacetyl)amino]benzoate

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID21962156

More details:

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

2-({4-[(4-Ethoxyphenyl)carbamoyl]phenyl}amino)-2-oxoethyl 4-[(cyanoacetyl)amino]benzoate [ACD/IUPAC Name]
2-({4-[(4-Ethoxyphenyl)carbamoyl]phenyl}amino)-2-oxoethyl-4-[(cyanacetyl)amino]benzoat [German] [ACD/IUPAC Name]
4-[(2-Cyanoacétyl)amino]benzoate de 2-({4-[(4-éthoxyphényl)carbamoyl]phényl}amino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-cyanoacetyl)amino]-, 2-[[4-[[(4-ethoxyphenyl)amino]carbonyl]phenyl]amino]-2-oxoethyl ester [ACD/Index Name]
4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[4-(p-phenetylcarbamoyl)anilino]ethyl] ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 62.26
ACD/KOC (pH 5.5): 606.43
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 27.66
Polar Surface Area: 147 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 367.2±3.0 cm3

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