ChemSpider 2D Image | 3-(cis-4-{2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylurea | C21H32Cl2N4O

3-(cis-4-{2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylurea

  • Molecular FormulaC21H32Cl2N4O
  • Average mass427.411 Da
  • Monoisotopic mass426.195313 Da
  • ChemSpider ID34216065

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(cis-4-{2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylurea [ACD/IUPAC Name]
3-(cis-4-{2-[4-(2,3-Dichlorophényl)-1-pipérazinyl]éthyl}cyclohexyl)-1,1-diméthylurée [French] [ACD/IUPAC Name]
3-(cis-4-{2-[4-(2,3-Dichlorphenyl)-1-piperazinyl]ethyl}cyclohexyl)-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
Urea, N'-[cis-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-N,N-dimethyl- [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: 600.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 43.27
ACD/KOC (pH 5.5): 155.67
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1554.90
ACD/KOC (pH 7.4): 5594.12
Polar Surface Area: 39 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 344.5±5.0 cm3

Click to predict properties on the Chemicalize site


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