ChemSpider 2D Image | 4-(4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)quinazoline | C21H19ClN6O

4-(4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)quinazoline

  • Molecular FormulaC21H19ClN6O
  • Average mass406.868 Da
  • Monoisotopic mass406.130890 Da
  • ChemSpider ID22353300

More details:

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

4-(4-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)quinazoline [ACD/IUPAC Name]
4-(4-{[3-(4-Chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipérazinyl)quinazoline [French] [ACD/IUPAC Name]
4-(4-{[3-(4-Chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)chinazolin [German] [ACD/IUPAC Name]
Quinazoline, 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]- [ACD/Index 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: 605.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 63.32
ACD/KOC (pH 7.4): 389.65
Polar Surface Area: 71 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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