ChemSpider 2D Image | 1-[1-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-piperidinyl]ethanone | C20H33N3O3S

1-[1-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-piperidinyl]ethanone

  • Molecular FormulaC20H33N3O3S
  • Average mass395.559 Da
  • Monoisotopic mass395.224274 Da
  • ChemSpider ID22159441

More details:






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

1-[1-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-[1-({1-Butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-piperidinyl]ethanone [ACD/IUPAC Name]
1-[1-({1-Butyl-2-[(cyclobutylméthyl)sulfonyl]-1H-imidazol-5-yl}méthyl)-3-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[1-[[1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl]methyl]-3-piperidinyl]- [ACD/Index Name]
1-{1-[(1-BUTYL-2-CYCLOBUTYLMETHANESULFONYL-1H-IMIDAZOL-5-YL)METHYL]PIPERIDIN-3-YL}ETHAN-1-ONE
1-{1-[(3-BUTYL-2-CYCLOBUTYLMETHANESULFONYLIMIDAZOL-4-YL)METHYL]PIPERIDIN-3-YL}ETHANONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 554.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.55
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 24.07
ACD/KOC (pH 7.4): 294.00
Polar Surface Area: 81 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 311.0±7.0 cm3

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