ChemSpider 2D Image | (1-{[2-(Ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)(2-thienyl)methanol | C19H29N3O4S2

(1-{[2-(Ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)(2-thienyl)methanol

  • Molecular FormulaC19H29N3O4S2
  • Average mass427.581 Da
  • Monoisotopic mass427.159943 Da
  • ChemSpider ID22239632

More details:

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

(1-{[2-(Ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)(2-thienyl)methanol [ACD/IUPAC Name]
(1-{[2-(Ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)(2-thienyl)methanol [German] [ACD/IUPAC Name]
(1-{[2-(Éthylsulfonyl)-1-(2-méthoxyéthyl)-1H-imidazol-5-yl]méthyl}-4-pipéridinyl)(2-thiényl)méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl]-α-2-thienyl- [ACD/Index Name]
(1-{[2-(ETHANESULFONYL)-1-(2-METHOXYETHYL)-1H-IMIDAZOL-5-YL]METHYL}PIPERIDIN-4-YL)(THIOPHEN-2-YL)METHANOL
(1-{[2-(ETHANESULFONYL)-3-(2-METHOXYETHYL)IMIDAZOL-4-YL]METHYL}PIPERIDIN-4-YL)(THIOPHEN-2-YL)METHANOL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 37.52
Polar Surface Area: 121 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

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