ChemSpider 2D Image | Ethyl 5-hydroxy-2-(methylsulfanyl)-7-oxo-8-(2-propyn-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate | C14H13N3O4S

Ethyl 5-hydroxy-2-(methylsulfanyl)-7-oxo-8-(2-propyn-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC14H13N3O4S
  • Average mass319.336 Da
  • Monoisotopic mass319.062683 Da
  • ChemSpider ID24609713

More details:

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

5-Hydroxy-2-(méthylsulfanyl)-7-oxo-8-(2-propyn-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-hydroxy-2-(methylsulfanyl)-7-oxo-8-(2-propyn-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-5-hydroxy-2-(methylsulfanyl)-7-oxo-8-(2-propin-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 7,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-(2-propyn-1-yl)-, ethyl ester [ACD/Index Name]
[1253791-05-7] [RN]
1253791-05-7 [RN]
4-Methyl-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
4-methylisobenzofuran-1(3H)-one
Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-(prop-2-yn-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-(prop-2-yny l)-7,8-dihydropyrido[2,3-d] pyrimidine-6-carboxylate
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 494.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 253.0±28.7 °C
    Index of Refraction: 1.655
    Molar Refractivity: 79.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 1.82
    ACD/KOC (pH 5.5): 41.89
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 81.0±5.0 dyne/cm
    Molar Volume: 216.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement