ChemSpider 2D Image | Ethyl (2Z)-2-{[(2E)-3-(4-chlorophenyl)-2-propenoyl]imino}-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate | C29H29ClN4O5

Ethyl (2Z)-2-{[(2E)-3-(4-chlorophenyl)-2-propenoyl]imino}-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID10894828

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[(2E)-3-(4-Chlorophényl)-2-propenoyl]imino}-1-(3-isopropoxypropyl)-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-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl]imino]-1,5-dihydro-1-[3-(1-methylethoxy)propyl]-5-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-2-{[(2E)-3-(4-chlorophenyl)-2-propenoyl]imino}-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-{[(2E)-3-(4-chlorphenyl)-2-propenoyl]imino}-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-(((E)-3-(4-chlorophenyl)acryloyl)imino)-1-(3-isopropoxypropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
872118-23-5 [RN]
ethyl (2Z)-2-{[(2E)-3-(4-chlorophenyl)prop-2-enoyl]imino}-5-oxo-1-[3-(propan-2-yloxy)propyl]-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: 669.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 358.7±34.3 °C
    Index of Refraction: 1.617
    Molar Refractivity: 149.4±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 510.63
    ACD/KOC (pH 5.5): 3020.42
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 510.64
    ACD/KOC (pH 7.4): 3020.43
    Polar Surface Area: 101 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 427.2±7.0 cm3

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