ChemSpider 2D Image | Cyclohexyl {[6-{[(4-bromophenyl)sulfanyl]methyl}-1-(2-hydroxypropyl)-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate | C23H28BrNO5S

Cyclohexyl {[6-{[(4-bromophenyl)sulfanyl]methyl}-1-(2-hydroxypropyl)-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate

  • Molecular FormulaC23H28BrNO5S
  • Average mass510.441 Da
  • Monoisotopic mass509.087158 Da
  • ChemSpider ID123430404

More details:

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

{[6-{[(4-Bromophényl)sulfanyl]méthyl}-1-(2-hydroxypropyl)-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acétate de cyclohexyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-[[(4-bromophenyl)thio]methyl]-1,4-dihydro-1-(2-hydroxypropyl)-4-oxo-3-pyridinyl]oxy]-, cyclohexyl ester [ACD/Index Name]
Cyclohexyl {[6-{[(4-bromophenyl)sulfanyl]methyl}-1-(2-hydroxypropyl)-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate [ACD/IUPAC Name]
Cyclohexyl-{[6-{[(4-bromphenyl)sulfanyl]methyl}-1-(2-hydroxypropyl)-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1659.98
ACD/KOC (pH 5.5): 7023.36
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1660.02
ACD/KOC (pH 7.4): 7023.50
Polar Surface Area: 101 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 354.1±5.0 cm3

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