ChemSpider 2D Image | Ethyl (2Z)-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 (2Z)-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 ID23718884

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-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, (2Z)- [ACD/Index Name]
Ethyl (2Z)-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-(2Z)-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]
(Z)-ethyl 1-(3-ethoxypropyl)-2-((3-fluorobenzoyl)imino)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
844861-89-8 [RN]
ethyl (2Z)-1-(3-ethoxypropyl)-2-{[(3-fluorophenyl)carbonyl]imino}-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

    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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