ChemSpider 2D Image | 8-Ethyl-5-oxo-2-(4-{[2-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid | C22H21F3N6O3S

8-Ethyl-5-oxo-2-(4-{[2-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID896860

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

8-Ethyl-5-oxo-2-(4-{[2-(trifluormethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
8-Ethyl-5-oxo-2-(4-{[2-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide 8-éthyl-5-oxo-2-(4-{[2-(trifluorométhyl)phényl]carbamothioyl}-1-pipérazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-[4-[thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-1-piperazinyl]- [ACD/Index Name]
497077-97-1 [RN]
8-ethyl-5-keto-2-[4-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-(4-{[2-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-Ethyl-5-oxo-2-[4-(2-trifluoromethyl-phenylthiocarbamoyl)-piperazin-1-yl]-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-[4-(thioxo{[2-(trifluoromethyl)phenyl]amino}methyl)piperazinyl]-8-hydropyridino[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2878/0121294 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 647.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 345.1±34.3 °C
    Index of Refraction: 1.657
    Molar Refractivity: 123.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.37
    ACD/LogD (pH 7.4): -0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.18
    Polar Surface Area: 134 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 334.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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