ChemSpider 2D Image | (5Z)-5-{[(3-Chloro-4-methoxyphenyl)amino]methylene}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C19H18ClN3O5S

(5Z)-5-{[(3-Chloro-4-methoxyphenyl)amino]methylene}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile

  • Molecular FormulaC19H18ClN3O5S
  • Average mass435.881 Da
  • Monoisotopic mass435.065582 Da
  • ChemSpider ID21858440

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-{[(3-Chlor-4-methoxyphenyl)amino]methylen}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5Z)-5-{[(3-Chloro-4-methoxyphenyl)amino]methylene}-1-(1,1-dioxidotetrahydro-3-thiophenyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5Z)-5-{[(3-Chloro-4-méthoxyphényl)amino]méthylène}-1-(1,1-dioxydotétrahydro-3-thiophényl)-4-méthyl-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 5-[[(3-chloro-4-methoxyphenyl)amino]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-1-(tetrahydro-1,1-dioxido-3-thienyl)-, (5Z)- [ACD/Index Name]
(5Z)-5-[(3-chloro-4-methoxyanilino)methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
(5Z)-5-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-[(3-Chloro-4-methoxy-phenylamino)-methylene]-1-(1,1-dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
929816-98-8 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 606.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 320.6±31.5 °C
    Index of Refraction: 1.646
    Molar Refractivity: 105.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.86
    ACD/KOC (pH 5.5): 123.39
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.86
    ACD/KOC (pH 7.4): 123.39
    Polar Surface Area: 125 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 70.1±5.0 dyne/cm
    Molar Volume: 289.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement