ChemSpider 2D Image | 1-(1-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)-1-propanol | C23H35N3O3S

1-(1-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)-1-propanol

  • Molecular FormulaC23H35N3O3S
  • Average mass433.607 Da
  • Monoisotopic mass433.239899 Da
  • ChemSpider ID22214045

More details:

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

1-(1-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)-1-propanol [ACD/IUPAC Name]
1-(1-{[2-(Isopropylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)-1-propanol [German] [ACD/IUPAC Name]
1-(1-{[2-(Isopropylsulfonyl)-1-(2-phényléthyl)-1H-imidazol-5-yl]méthyl}-4-pipéridinyl)-1-propanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, α-ethyl-1-[[2-[(1-methylethyl)sulfonyl]-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl]- [ACD/Index Name]
1-(1-{[1-(2-PHENYLETHYL)-2-(PROPANE-2-SULFONYL)-1H-IMIDAZOL-5-YL]METHYL}PIPERIDIN-4-YL)PROPAN-1-OL
1-(1-{[3-(2-PHENYLETHYL)-2-(PROPANE-2-SULFONYL)IMIDAZOL-4-YL]METHYL}PIPERIDIN-4-YL)PROPAN-1-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.4±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 16.50
ACD/KOC (pH 7.4): 158.29
Polar Surface Area: 84 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

Click to predict properties on the Chemicalize site


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