ChemSpider 2D Image | [4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone | C23H25ClFN7O

[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone

  • Molecular FormulaC23H25ClFN7O
  • Average mass469.942 Da
  • Monoisotopic mass469.179321 Da
  • ChemSpider ID58386833

More details:

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

[4-(3-Chlor-4-fluorphenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanon [German] [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophenyl)-1-piperazinyl]{1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl}methanone [ACD/IUPAC Name]
[4-(3-Chloro-4-fluorophényl)-1-pipérazinyl]{1-[6-(3,5-diméthyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azétidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(3-chloro-4-fluorophenyl)-1-piperazinyl][1-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl]-3-azetidinyl]- [ACD/Index Name]
(4-(3-chloro-4-fluorophenyl)piperazin-1-yl)(1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)azetidin-3-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: 708.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 281.45
ACD/KOC (pH 5.5): 1970.52
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 282.13
ACD/KOC (pH 7.4): 1975.32
Polar Surface Area: 70 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

Click to predict properties on the Chemicalize site


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