ChemSpider 2D Image | [4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-piperidinyl}methanone | C23H25ClFN7O

[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-piperidinyl}methanone

  • Molecular FormulaC23H25ClFN7O
  • Average mass469.942 Da
  • Monoisotopic mass469.179321 Da
  • ChemSpider ID39344396

More details:

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

[4-(3-Chlor-4-fluorphenyl)-1-piperazinyl]{1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-piperidinyl}methanon [German] [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-piperidinyl}methanone [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophényl)-1-pipérazinyl]{1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(3-chloro-4-fluorophenyl)-1-piperazinyl][1-[6-(1H-imidazol-1-yl)-4-pyrimidinyl]-4-piperidinyl]- [ACD/Index Name]
(1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)(4-(3-chloro-4-fluorophenyl)piperazin-1-yl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 31.22
ACD/KOC (pH 5.5): 339.40
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.29
ACD/KOC (pH 7.4): 644.56
Polar Surface Area: 70 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 326.7±7.0 cm3

Click to predict properties on the Chemicalize site


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