ChemSpider 2D Image | Ethyl 2-[(3-chlorobenzoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C25H23ClN4O4

Ethyl 2-[(3-chlorobenzoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC25H23ClN4O4
  • Average mass478.927 Da
  • Monoisotopic mass478.140778 Da
  • ChemSpider ID35353992

More details:

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

2-[(3-Chlorobenzoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylic acid, 2-[(3-chlorobenzoyl)imino]-1,5-dihydro-1-(2-methylpropyl)-5-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-[(3-chlorobenzoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(3-chlorbenzoyl)imino]-1-isobutyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxylat [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: 610.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.1±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.37
ACD/KOC (pH 5.5): 1312.49
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.37
ACD/KOC (pH 7.4): 1312.49
Polar Surface Area: 92 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 356.6±7.0 cm3

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