ChemSpider 2D Image | Ethyl 1-cyclohexyl-5-oxo-2-{[2-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C28H25F3N4O4

Ethyl 1-cyclohexyl-5-oxo-2-{[2-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID35354072

More details:

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

1-Cyclohexyl-5-oxo-2-{[2-(trifluorométhyl)benzoyl]imino}-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, 1-cyclohexyl-1,5-dihydro-5-oxo-2-[[2-(trifluoromethyl)benzoyl]imino]-, ethyl ester [ACD/Index Name]
Ethyl 1-cyclohexyl-5-oxo-2-{[2-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-cyclohexyl-5-oxo-2-{[2-(trifluormethyl)benzoyl]imino}-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: 1.4±0.1 g/cm3
Boiling Point: 632.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.50
ACD/KOC (pH 5.5): 3278.07
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.50
ACD/KOC (pH 7.4): 3278.07
Polar Surface Area: 92 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 382.6±7.0 cm3

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