ChemSpider 2D Image | 9-{[8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-methyl-2H-[1,4]oxazino[3,2-c]quinolin-3(4H)-one | C22H16FN7O2S

9-{[8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-methyl-2H-[1,4]oxazino[3,2-c]quinolin-3(4H)-one

  • Molecular FormulaC22H16FN7O2S
  • Average mass461.471 Da
  • Monoisotopic mass461.107025 Da
  • ChemSpider ID58880647

More details:

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

2H-1,4-Oxazino[3,2-c]quinolin-3(4H)-one, 9-[[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]thio]-4-methyl- [ACD/Index Name]
9-{[8-Fluor-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-methyl-2H-[1,4]oxazino[3,2-c]chinolin-3(4H)-on [German] [ACD/IUPAC Name]
9-{[8-Fluoro-6-(1-méthyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-méthyl-2H-[1,4]oxazino[3,2-c]quinoléin-3(4H)-one [French] [ACD/IUPAC Name]
9-{[8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl}-4-methyl-2H-[1,4]oxazino[3,2-c]quinolin-3(4H)-one [ACD/IUPAC Name]
1637658-98-0 [RN]
dalmelitinib

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: 1.800
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.35
ACD/KOC (pH 5.5): 455.30
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.44
ACD/KOC (pH 7.4): 456.41
Polar Surface Area: 116 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 286.0±7.0 cm3

Click to predict properties on the Chemicalize site


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