ChemSpider 2D Image | 5-[2-(4-Chlorophenoxy)ethoxy]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1-[2-(4-morpholinyl)ethyl]-4(1H)-pyridinone | C22H27ClN6O4S

5-[2-(4-Chlorophenoxy)ethoxy]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1-[2-(4-morpholinyl)ethyl]-4(1H)-pyridinone

  • Molecular FormulaC22H27ClN6O4S
  • Average mass507.006 Da
  • Monoisotopic mass506.150299 Da
  • ChemSpider ID123416962

More details:

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

4(1H)-Pyridinone, 5-[2-(4-chlorophenoxy)ethoxy]-2-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-1-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
5-[2-(4-Chlorophenoxy)ethoxy]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1-[2-(4-morpholinyl)ethyl]-4(1H)-pyridinone [ACD/IUPAC Name]
5-[2-(4-Chlorophénoxy)éthoxy]-2-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-1-[2-(4-morpholinyl)éthyl]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
5-[2-(4-Chlorphenoxy)ethoxy]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1-[2-(4-morpholinyl)ethyl]-4(1H)-pyridinon [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: 697.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 132.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 40.03
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.35
ACD/KOC (pH 7.4): 293.61
Polar Surface Area: 120 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 358.5±7.0 cm3

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