ChemSpider 2D Image | 2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(4-ethylphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone | C28H38ClN3O4S

2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(4-ethylphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone

  • Molecular FormulaC28H38ClN3O4S
  • Average mass548.137 Da
  • Monoisotopic mass547.227173 Da
  • ChemSpider ID68391333

More details:

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

2-{4-[(4-Chlor-3-methylphenoxy)methyl]-1-[(4-ethylphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(4-ethylphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-{4-[(4-Chloro-3-méthylphénoxy)méthyl]-1-[(4-éthylphényl)sulfonyl]-4-pipéridinyl}-1-(4-méthyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-[(4-ethylphenyl)sulfonyl]-4-piperidinyl]-1-(4-methyl-1-piperazinyl)- [ACD/Index Name]
2-[4-(4-CHLORO-3-METHYLPHENOXYMETHYL)-1-(4-ETHYLBENZENESULFONYL)PIPERIDIN-4-YL]-1-(4-METHYLPIPERAZIN-1-YL)ETHANONE
2-{4-[(4-CHLORO-3-METHYLPHENOXY)METHYL]-1-(4-ETHYLBENZENESULFONYL)PIPERIDIN-4-YL}-1-(4-METHYLPIPERAZIN-1-YL)ETHAN-1-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.5±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 139.48
ACD/KOC (pH 5.5): 500.64
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2352.51
ACD/KOC (pH 7.4): 8443.66
Polar Surface Area: 79 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 449.6±3.0 cm3

Click to predict properties on the Chemicalize site


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