ChemSpider 2D Image | 1-{4-[(S)-(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone | C25H29ClN4O

1-{4-[(S)-(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID129225109

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{4-[(S)-(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-{4-[(S)-(4-Chlorophényl)(phényl)méthyl]-1-pipérazinyl}-3-(3,5-diméthyl-1H-pyrazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-{4-[(S)-(4-Chlorphenyl)(phenyl)methyl]-1-piperazinyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[(S)-(4-chlorophenyl)phenylmethyl]-1-piperazinyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 836.55
ACD/KOC (pH 5.5): 3911.54
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1162.38
ACD/KOC (pH 7.4): 5435.01
Polar Surface Area: 52 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 355.2±3.0 cm3

Click to predict properties on the Chemicalize site


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