ChemSpider 2D Image | Methyl 7-{3-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,4-triazol-5-yl}-2-methyl-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate | C17H15N7O5S

Methyl 7-{3-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,4-triazol-5-yl}-2-methyl-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate

  • Molecular FormulaC17H15N7O5S
  • Average mass429.410 Da
  • Monoisotopic mass429.085541 Da
  • ChemSpider ID28630072

More details:

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

7-{3-[(2-Méthoxy-2-oxoéthyl)sulfanyl]-1H-1,2,4-triazol-5-yl}-2-méthyl-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-{3-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,4-triazol-5-yl}-2-methyl-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Methyl-7-{3-[(2-methoxy-2-oxoethyl)sulfanyl]-1H-1,2,4-triazol-5-yl}-2-methyl-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylic acid, 6,7-dihydro-7-[5-[(2-methoxy-2-oxoethyl)thio]-1H-1,2,4-triazol-3-yl]-2-methyl-6-oxo-, methyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 73.46
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 33.46
Polar Surface Area: 170 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 253.9±7.0 cm3

Click to predict properties on the Chemicalize site


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