ChemSpider 2D Image | Ethyl (2E)-1-(3-ethoxypropyl)-2-[(3-fluorobenzoyl)imino]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C27H27FN4O5

Ethyl (2E)-1-(3-ethoxypropyl)-2-[(3-fluorobenzoyl)imino]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC27H27FN4O5
  • Average mass506.526 Da
  • Monoisotopic mass506.196533 Da
  • ChemSpider ID1522164

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(3-Éthoxypropyl)-2-[(3-fluorobenzoyl)imino]-10-méthyl-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, 1-(3-ethoxypropyl)-2-[(3-fluorobenzoyl)imino]-1,5-dihydro-10-methyl-5-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-1-(3-ethoxypropyl)-2-[(3-fluorobenzoyl)imino]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-1-(3-ethoxypropyl)-2-[(3-fluorbenzoyl)imino]-10-methyl-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: 627.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.17
ACD/KOC (pH 5.5): 773.76
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.17
ACD/KOC (pH 7.4): 773.76
Polar Surface Area: 101 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

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