ChemSpider 2D Image | 2-Ethyl-1-(4-{2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)-1-hexanone | C25H41N3O4S

2-Ethyl-1-(4-{2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)-1-hexanone

  • Molecular FormulaC25H41N3O4S
  • Average mass479.676 Da
  • Monoisotopic mass479.281769 Da
  • ChemSpider ID22734396

More details:

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

1-Hexanone, 2-ethyl-1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]- [ACD/Index Name]
2-Ethyl-1-(4-{2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)-1-hexanon [German] [ACD/IUPAC Name]
2-Ethyl-1-(4-{2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1-piperazinyl)-1-hexanone [ACD/IUPAC Name]
2-Éthyl-1-(4-{2-méthoxy-5-[(3-méthyl-1-pipéridinyl)sulfonyl]phényl}-1-pipérazinyl)-1-hexanone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 648.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.7±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3518.58
ACD/KOC (pH 5.5): 12024.78
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3518.76
ACD/KOC (pH 7.4): 12025.42
Polar Surface Area: 79 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

Click to predict properties on the Chemicalize site


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