ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(6-{[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-3-quinolinyl)-2,6-dimethyl-1-piperazinecarboxylate | C30H33FN8O2S

2-Methyl-2-propanyl 4-(6-{[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-3-quinolinyl)-2,6-dimethyl-1-piperazinecarboxylate

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID61740891

More details:

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

1-Piperazinecarboxylic acid, 4-[6-[[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]thio]-3-quinolinyl]-2,6-dimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(6-{[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-3-quinolinyl)-2,6-dimethyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(6-{[8-fluor-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-3-chinolinyl)-2,6-dimethyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(6-{[8-Fluoro-6-(1-méthyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-3-quinoléinyl)-2,6-diméthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 162.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 931.37
ACD/KOC (pH 5.5): 4541.92
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1006.16
ACD/KOC (pH 7.4): 4906.63
Polar Surface Area: 119 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 426.8±7.0 cm3

Click to predict properties on the Chemicalize site


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