ChemSpider 2D Image | 4-(4-Chlorophenyl)-3-methyl-6-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one | C23H21ClN6O3

4-(4-Chlorophenyl)-3-methyl-6-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one

  • Molecular FormulaC23H21ClN6O3
  • Average mass464.904 Da
  • Monoisotopic mass464.136353 Da
  • ChemSpider ID28997117

More details:

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

4-(4-Chlorophenyl)-3-methyl-6-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one [ACD/IUPAC Name]
4-(4-Chlorophényl)-3-méthyl-6-{2-oxo-2-[4-(2-pyridinyl)-1-pipérazinyl]éthyl}[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one [French] [ACD/IUPAC Name]
4-(4-Chlorphenyl)-3-methyl-6-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}[1,2]oxazolo[3,4-d]pyridazin-7(6H)-on [German] [ACD/IUPAC Name]
Isoxazolo[3,4-d]pyridazin-7(6H)-one, 4-(4-chlorophenyl)-3-methyl-6-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±35.7 °C
Index of Refraction: 1.717
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 23.13
Polar Surface Area: 95 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

Click to predict properties on the Chemicalize site


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