ChemSpider 2D Image | tert-Butyl 4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]-thieno[2,3-d]pyrimidine-7(4H)-carboxylate | C14H17N3O3S

tert-Butyl 4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]-thieno[2,3-d]pyrimidine-7(4H)-carboxylate

  • Molecular FormulaC14H17N3O3S
  • Average mass307.368 Da
  • Monoisotopic mass307.099060 Da
  • ChemSpider ID26231909

More details:

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

2-Methyl-2-propanyl 4-oxo-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxo-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(4H)-carboxylat [German] [ACD/IUPAC Name]
4-Oxo-1,5,6,8-tétrahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidine-7(4H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
874801-60-2 [RN]
Pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylic acid, 3,5,6,8-tetrahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]-thieno[2,3-d]pyrimidine-7(4H)-carboxylate
[874801-60-2] [RN]
4-Oxo-3,5,6,8-tetrahydro-4H-9-thia-1,3,7-triaza-fluorene-7-carboxylic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4533412/
MFCD05664943 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 544.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 282.9±30.1 °C
    Index of Refraction: 1.687
    Molar Refractivity: 80.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.64
    ACD/KOC (pH 5.5): 201.71
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.64
    ACD/KOC (pH 7.4): 201.65
    Polar Surface Area: 99 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 55.7±7.0 dyne/cm
    Molar Volume: 211.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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