ChemSpider 2D Image | Methyl 2-[(E)-2-(dimethylamino)vinyl]-6-isopropyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate | C17H21N3O3

Methyl 2-[(E)-2-(dimethylamino)vinyl]-6-isopropyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

  • Molecular FormulaC17H21N3O3
  • Average mass315.367 Da
  • Monoisotopic mass315.158295 Da
  • ChemSpider ID28611812

  • Double-bond stereo - Double-bond stereo

More details:

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

1,6-Naphthyridine-3-carboxylic acid, 2-[(E)-2-(dimethylamino)ethenyl]-5,6-dihydro-6-(1-methylethyl)-5-oxo-, methyl ester [ACD/Index Name]
2-[(E)-2-(Diméthylamino)vinyl]-6-isopropyl-5-oxo-5,6-dihydro-1,6-naphtyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(E)-2-(dimethylamino)vinyl]-6-isopropyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-2-[(E)-2-(dimethylamino)vinyl]-6-isopropyl-5-oxo-5,6-dihydro-1,6-naphthyridin-3-carboxylat [German] [ACD/IUPAC Name]
1374510-92-5 [RN]
methyl 2-[(E)-2-(dimethylamino)ethenyl]-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylate
MFCD22374884 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 526.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 272.0±30.1 °C
    Index of Refraction: 1.592
    Molar Refractivity: 89.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.26
    ACD/LogD (pH 5.5): 0.93
    ACD/BCF (pH 5.5): 1.88
    ACD/KOC (pH 5.5): 31.68
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 11.92
    ACD/KOC (pH 7.4): 200.78
    Polar Surface Area: 63 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 265.1±3.0 cm3

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