ChemSpider 2D Image | Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate | C12H14N4O5S

Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

  • Molecular FormulaC12H14N4O5S
  • Average mass326.328 Da
  • Monoisotopic mass326.068481 Da
  • ChemSpider ID58175639

More details:

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

2H-Pyrazolo[4,3-c]pyridine-7-carboxylic acid, 3,5-dihydro-3-oxo-5-[(tetrahydro-1,1-dioxido-3-thienyl)amino]-, methyl ester [ACD/Index Name]
5-[(1,1-Dioxydotétrahydro-3-thiophényl)amino]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate [ACD/IUPAC Name]
Methyl-5-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-7-carboxylat [German] [ACD/IUPAC Name]
methyl 5-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 76.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -3.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 185.7±7.0 cm3

Click to predict properties on the Chemicalize site


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