ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-6-{4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]butoxy}-3(2H)-pyridazinone | C26H25Cl2FN4O3

2-(3,4-Dichlorophenyl)-6-{4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]butoxy}-3(2H)-pyridazinone

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID76809548

More details:

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

2-(3,4-Dichlorophenyl)-6-{4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]butoxy}-3(2H)-pyridazinone [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-6-{4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]butoxy}-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
2-(3,4-Dichlorphenyl)-6-{4-[4-(6-fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]butoxy}-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 2-(3,4-dichlorophenyl)-6-[4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]butoxy]- [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: 659.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.9±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.13
ACD/KOC (pH 5.5): 19.81
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 238.06
ACD/KOC (pH 7.4): 918.65
Polar Surface Area: 71 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 370.8±7.0 cm3

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