ChemSpider 2D Image | 2-Methoxyethyl [(1-[4-(diethylamino)butyl]-6-{[(2-hydroxyethyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate | C21H36N2O6S

2-Methoxyethyl [(1-[4-(diethylamino)butyl]-6-{[(2-hydroxyethyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID123450514

More details:

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

[(1-[4-(Diéthylamino)butyl]-6-{[(2-hydroxyéthyl)sulfanyl]méthyl}-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acétate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl [(1-[4-(diethylamino)butyl]-6-{[(2-hydroxyethyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
2-Methoxyethyl-[(1-[4-(diethylamino)butyl]-6-{[(2-hydroxyethyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[1-[4-(diethylamino)butyl]-1,4-dihydro-6-[[(2-hydroxyethyl)thio]methyl]-4-oxo-3-pyridinyl]oxy]-, 2-methoxyethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 317.5±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 377.2±5.0 cm3

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