ChemSpider 2D Image | 1-Azocanyl(2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-1,3-oxazol-4-yl)methanone | C22H29FN4O2

1-Azocanyl(2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-1,3-oxazol-4-yl)methanone

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22249541

More details:






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

1-Azocanyl(2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-1,3-oxazol-4-yl)methanone [ACD/IUPAC Name]
1-Azocanyl(2-{[4-(2-fluorophényl)-1-pipérazinyl]méthyl}-1,3-oxazol-4-yl)méthanone [French] [ACD/IUPAC Name]
1-Azocanyl(2-{[4-(2-fluorphenyl)-1-piperazinyl]methyl}-1,3-oxazol-4-yl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4-oxazolyl](hexahydro-1(2H)-azocinyl)- [ACD/Index Name]
1-[(2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-1,3-oxazol-4-yl)carbonyl]azocane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 21.99
ACD/KOC (pH 5.5): 220.14
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.56
ACD/KOC (pH 7.4): 776.47
Polar Surface Area: 53 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 331.9±3.0 cm3

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