ChemSpider 2D Image | Methyl 5-[2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)ethyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate | C18H18N6O5S2

Methyl 5-[2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)ethyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

  • Molecular FormulaC18H18N6O5S2
  • Average mass462.503 Da
  • Monoisotopic mass462.078003 Da
  • ChemSpider ID44208673

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-5-[2-[[[2-(methoxymethyl)-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]thio]ethyl]-3-oxo-, methyl ester [ACD/Index Name]
5-[2-({[2-(Méthoxyméthyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]méthyl}sulfanyl)éthyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)ethyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate [ACD/IUPAC Name]
Methyl-5-[2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)ethyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-7-carboxylat [German] [ACD/IUPAC Name]
methyl 3-hydroxy-5-[2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)ethyl]-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
methyl 5-(2-(((2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl)thio)ethyl)-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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.765
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 71.8±7.0 dyne/cm
Molar Volume: 280.6±7.0 cm3

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