ChemSpider 2D Image | Methyl 3-{[2-({[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]oxy}methyl)-4-morpholinyl]sulfonyl}-2-thiophenecarboxylate | C20H24N4O8S2

Methyl 3-{[2-({[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]oxy}methyl)-4-morpholinyl]sulfonyl}-2-thiophenecarboxylate

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID2674854

More details:

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

2-Thiophenecarboxylic acid, 3-[[2-[[[4,6-bis(2-propen-1-yloxy)-1,3,5-triazin-2-yl]oxy]methyl]-4-morpholinyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[2-({[4,6-Bis(allyloxy)-1,3,5-triazin-2-yl]oxy}méthyl)-4-morpholinyl]sulfonyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[2-({[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]oxy}methyl)-4-morpholinyl]sulfonyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[2-({[4,6-bis(allyloxy)-1,3,5-triazin-2-yl]oxy}methyl)-4-morpholinyl]sulfonyl}-2-thiophencarboxylat [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: 686.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.65
ACD/KOC (pH 5.5): 393.82
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.66
ACD/KOC (pH 7.4): 393.90
Polar Surface Area: 176 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

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