ChemSpider 2D Image | Ethyl 3-(4-acetylphenyl)-9-(4-methoxyphenyl)-7-methyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carboxylate | C27H22N4O5S

Ethyl 3-(4-acetylphenyl)-9-(4-methoxyphenyl)-7-methyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carboxylate

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID858029

More details:

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

3-(4-Acétylphényl)-9-(4-méthoxyphényl)-7-méthyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thiéno[3,2-d][1,2,3]triazine-8-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(4-acetylphenyl)-9-(4-methoxyphenyl)-7-methyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine-8-carboxylate [ACD/IUPAC Name]
Ethyl-3-(4-acetylphenyl)-9-(4-methoxyphenyl)-7-methyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-carboxylat [German] [ACD/IUPAC Name]
Pyrido[3',2':4,5]thieno[3,2-d]-1,2,3-triazine-8-carboxylic acid, 3-(4-acetylphenyl)-3,4-dihydro-9-(4-methoxyphenyl)-7-methyl-4-oxo-, ethyl ester [ACD/Index Name]
723745-40-2 [RN]
AC1LKG5G
AGN-PC-0JZ1RT
CHEMBL1445613
ethyl 3-(4-acetylphenyl)-9-(4-methoxyphenyl)-7-methyl-4-oxopyrido[1,2]thieno[3,4-b]triazine-8-carboxylate
FNKVRFNOLQLSKE-UHFFFAOYSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AO-799/42007980 [DBID]
MLS000545899 [DBID]
SMR000161404 [DBID]
ZINC00643014 [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: 713.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±3.0 kJ/mol
    Flash Point: 385.2±35.7 °C
    Index of Refraction: 1.692
    Molar Refractivity: 139.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.05
    ACD/LogD (pH 5.5): 4.71
    ACD/BCF (pH 5.5): 2240.48
    ACD/KOC (pH 5.5): 8700.08
    ACD/LogD (pH 7.4): 4.71
    ACD/BCF (pH 7.4): 2244.93
    ACD/KOC (pH 7.4): 8717.34
    Polar Surface Area: 139 Å2
    Polarizability: 55.4±0.5 10-24cm3
    Surface Tension: 54.4±7.0 dyne/cm
    Molar Volume: 364.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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