ChemSpider 2D Image | 9-[3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine | C18H17FN4O

9-[3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine

  • Molecular FormulaC18H17FN4O
  • Average mass324.352 Da
  • Monoisotopic mass324.138641 Da
  • ChemSpider ID30821664

More details:

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

9-[3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine [ACD/IUPAC Name]
9-[3-(4-Fluorophényl)-1-méthyl-1H-pyrazol-4-yl]-2,3,4,5-tétrahydropyrido[2,3-f][1,4]oxazépine [French] [ACD/IUPAC Name]
9-[3-(4-Fluorphenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepin [German] [ACD/IUPAC Name]
Pyrido[2,3-f]-1,4-oxazepine, 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydro- [ACD/Index Name]
1QM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 473.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 89.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 4.88
ACD/KOC (pH 5.5): 71.92
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.76
ACD/KOC (pH 7.4): 291.19
Polar Surface Area: 52 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

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