ChemSpider 2D Image | (4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)[2-(methylsulfanyl)-3-pyridinyl]methanone | C27H30ClN3O2S

(4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)[2-(methylsulfanyl)-3-pyridinyl]methanone

  • Molecular FormulaC27H30ClN3O2S
  • Average mass496.064 Da
  • Monoisotopic mass495.174713 Da
  • ChemSpider ID22747865

More details:

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

(4-{2-(4-Chlorophenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)[2-(methylsulfanyl)-3-pyridinyl]methanone [ACD/IUPAC Name]
(4-{2-(4-Chlorophényl)-2-[(3-méthylbenzyl)oxy]éthyl}-1-pipérazinyl)[2-(méthylsulfanyl)-3-pyridinyl]méthanone [French] [ACD/IUPAC Name]
(4-{2-(4-Chlorphenyl)-2-[(3-methylbenzyl)oxy]ethyl}-1-piperazinyl)[2-(methylsulfanyl)-3-pyridinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]-1-piperazinyl][2-(methylthio)-3-pyridinyl]- [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: 636.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.8±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 817.46
ACD/KOC (pH 5.5): 3048.44
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2519.63
ACD/KOC (pH 7.4): 9396.13
Polar Surface Area: 71 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


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