ChemSpider 2D Image | Ethyl 4-{3-[(dichloroacetyl)amino]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C19H23Cl2N3O4

Ethyl 4-{3-[(dichloroacetyl)amino]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC19H23Cl2N3O4
  • Average mass428.310 Da
  • Monoisotopic mass427.106567 Da
  • ChemSpider ID22569565

More details:

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

4-{3-[(2,2-Dichloroacétyl)amino]phényl}-6-méthyl-2-oxo-1-propyl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[3-[(2,2-dichloroacetyl)amino]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-propyl-, ethyl ester [ACD/Index Name]
Ethyl 4-{3-[(dichloroacetyl)amino]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{3-[(dichloracetyl)amino]phenyl}-6-methyl-2-oxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [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: 629.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.6±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.77
ACD/KOC (pH 5.5): 931.87
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.73
ACD/KOC (pH 7.4): 931.50
Polar Surface Area: 88 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

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