ChemSpider 2D Image | 1-(1-{[2-(Cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone | C20H33N3O4S

1-(1-{[2-(Cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone

  • Molecular FormulaC20H33N3O4S
  • Average mass411.559 Da
  • Monoisotopic mass411.219177 Da
  • ChemSpider ID22229427

More details:

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

1-(1-{[2-(Cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanon [German] [ACD/IUPAC Name]
1-(1-{[2-(Cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone [ACD/IUPAC Name]
1-(1-{[2-(Cyclopentylsulfonyl)-1-(3-méthoxypropyl)-1H-imidazol-5-yl]méthyl}-3-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-[[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]-3-piperidinyl]- [ACD/Index Name]
1-(1-{[2-(CYCLOPENTANESULFONYL)-1-(3-METHOXYPROPYL)-1H-IMIDAZOL-5-YL]METHYL}PIPERIDIN-3-YL)ETHAN-1-ONE
1-(1-{[2-(CYCLOPENTANESULFONYL)-3-(3-METHOXYPROPYL)IMIDAZOL-4-YL]METHYL}PIPERIDIN-3-YL)ETHANONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.03
ACD/KOC (pH 7.4): 96.30
Polar Surface Area: 90 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 317.5±7.0 cm3

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