ChemSpider 2D Image | Ethyl 1-butyl-4-(3-{[(2,4-dichlorophenyl)carbamoyl]amino}phenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C30H30Cl2N4O4

Ethyl 1-butyl-4-(3-{[(2,4-dichlorophenyl)carbamoyl]amino}phenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID22569611

More details:

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

1-Butyl-4-(3-{[(2,4-dichlorophényl)carbamoyl]amino}phényl)-2-oxo-6-phényl-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-butyl-4-[3-[[[(2,4-dichlorophenyl)amino]carbonyl]amino]phenyl]-1,2,3,4-tetrahydro-2-oxo-6-phenyl-, ethyl ester [ACD/Index Name]
Ethyl 1-butyl-4-(3-{[(2,4-dichlorophenyl)carbamoyl]amino}phenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-butyl-4-(3-{[(2,4-dichlorphenyl)carbamoyl]amino}phenyl)-2-oxo-6-phenyl-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: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 59421.34
ACD/KOC (pH 5.5): 90942.81
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 59381.17
ACD/KOC (pH 7.4): 90881.32
Polar Surface Area: 100 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 436.7±3.0 cm3

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