ChemSpider 2D Image | 1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone | C22H23ClFN5O

1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone

  • Molecular FormulaC22H23ClFN5O
  • Average mass427.902 Da
  • Monoisotopic mass427.157501 Da
  • ChemSpider ID22486392

More details:

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

1-[1-(3-Chlor-4-fluorphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[1-(3-Chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[1-(3-Chloro-4-fluorophényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 604.78
ACD/KOC (pH 5.5): 3102.73
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 838.43
ACD/KOC (pH 7.4): 4301.44
Polar Surface Area: 54 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 322.0±7.0 cm3

Click to predict properties on the Chemicalize site


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