ChemSpider 2D Image | 2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone | C28H38ClN3O6S

2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone

  • Molecular FormulaC28H38ClN3O6S
  • Average mass580.136 Da
  • Monoisotopic mass579.216980 Da
  • ChemSpider ID68371029

More details:

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

2-{4-[(4-Chlor-3-methylphenoxy)methyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[(4-Chloro-3-methylphenoxy)methyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}-1-(4-methyl-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-{4-[(4-Chloro-3-méthylphénoxy)méthyl]-1-[(2,5-diméthoxyphényl)sulfonyl]-4-pipéridinyl}-1-(4-méthyl-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[(4-chloro-3-methylphenoxy)methyl]-1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl]-1-(4-methyl-1-piperazinyl)- [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: 734.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.568
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 49.41
ACD/KOC (pH 5.5): 238.18
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 833.34
ACD/KOC (pH 7.4): 4017.12
Polar Surface Area: 97 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 464.7±3.0 cm3

Click to predict properties on the Chemicalize site


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