ChemSpider 2D Image | 5-[4-(4-Methylpiperazin-1-Yl)phenylamino]-2-(4-Chlorophenyl)-6-(1h-1,2,4-Triazol-5-Yl)-3(2h)-Pyridazinone | C23H23ClN8O

5-[4-(4-Methylpiperazin-1-Yl)phenylamino]-2-(4-Chlorophenyl)-6-(1h-1,2,4-Triazol-5-Yl)-3(2h)-Pyridazinone

  • Molecular FormulaC23H23ClN8O
  • Average mass462.935 Da
  • Monoisotopic mass462.168335 Da
  • ChemSpider ID31104799

More details:

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

2-(4-Chlorophenyl)-5-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone [ACD/IUPAC Name]
2-(4-Chlorophényl)-5-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-5-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-6-(1H-1,2,4-triazol-3-yl)-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 2-(4-chlorophenyl)-5-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-6-(1H-1,2,4-triazol-3-yl)- [ACD/Index Name]
5-[4-(4-Methylpiperazin-1-Yl)phenylamino]-2-(4-Chlorophenyl)-6-(1h-1,2,4-Triazol-5-Yl)-3(2h)-Pyridazinone
JWF

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.6±35.7 °C
Index of Refraction: 1.729
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 39.26
Polar Surface Area: 93 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 321.6±7.0 cm3

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