ChemSpider 2D Image | 2-(4-{[1-(Adamantan-1-yl)ethyl]carbamothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid | C27H36N6O3S

2-(4-{[1-(Adamantan-1-yl)ethyl]carbamothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID3241514

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

2-(4-{[1-(Adamantan-1-yl)ethyl]carbamothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
2-(4-{[1-(Adamantan-1-yl)ethyl]carbamothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
2-(4-{[1-(Adamantan-1-yl)ethyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Acide 2-(4-{[1-(adamantan-1-yl)éthyl]carbamothioyl}-1-pipérazinyl)-8-éthyl-5-oxo-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[(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]methyl]-1-piperazinyl]- [ACD/Index Name]
2-(4-((1-(adamantan-1-yl)ethyl)carbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-(4-{[(adamantanylethyl)amino]thioxomethyl}piperazinyl)-8-ethyl-5-oxo-8-hydropyridino[2,3-d]pyrimidine-6-carboxylic acid
2-[4-({[1-(1-adamantyl)ethyl]amino}carbonothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-[4-(1-Adamantan-1-yl-ethylthiocarbamoyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid
2-[4-[1-(1-adamantyl)ethylcarbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A3452/0146614 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 691.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.4±3.0 kJ/mol
    Flash Point: 371.9±34.3 °C
    Index of Refraction: 1.653
    Molar Refractivity: 141.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 1.22
    ACD/KOC (pH 5.5): 8.73
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.30
    Polar Surface Area: 134 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 387.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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