ChemSpider 2D Image | Ethyl 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]-1-propen-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-piperidinecarboxylate | C29H31N5O4

Ethyl 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]-1-propen-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-piperidinecarboxylate

  • Molecular FormulaC29H31N5O4
  • Average mass513.588 Da
  • Monoisotopic mass513.237610 Da
  • ChemSpider ID4811370

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(3-{(1E)-2-Cyano-3-oxo-3-[(2-phényléthyl)amino]-1-propén-1-yl}-9-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[3-[(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]-1-propen-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]-1-propen-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(3-{(1E)-2-cyan-3-oxo-3-[(2-phenylethyl)amino]-1-propen-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-piperidincarboxylat [German] [ACD/IUPAC Name]
796881-68-0 [RN]
ethyl 1-(3-{(1E)-2-cyano-2-[N-(2-phenylethyl)carbamoyl]vinyl}-9-methyl-4-oxo-5-hydropyridino[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
ethyl 1-(3-{(1E)-2-cyano-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-3-carboxylate
ethyl 1-[3-[(E)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-3-carboxylate
ethyl 1-{3-[(1E)-2-cyano-2-[(2-phenylethyl)carbamoyl]eth-1-en-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.630
    Molar Refractivity: 145.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): 2.63
    ACD/BCF (pH 5.5): 58.59
    ACD/KOC (pH 5.5): 641.26
    ACD/LogD (pH 7.4): 2.63
    ACD/BCF (pH 7.4): 58.59
    ACD/KOC (pH 7.4): 641.27
    Polar Surface Area: 115 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 409.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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