ChemSpider 2D Image | 11-[(5E)-5-{[1-Butyl-5-cyano-4-methyl-2-(4-morpholinyl)-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid | C30H42N4O5S2

11-[(5E)-5-{[1-Butyl-5-cyano-4-methyl-2-(4-morpholinyl)-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

  • Molecular FormulaC30H42N4O5S2
  • Average mass602.808 Da
  • Monoisotopic mass602.259644 Da
  • ChemSpider ID12229967

  • Double-bond stereo - Double-bond stereo

More details:

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

11-[(5E)-5-{[1-Butyl-5-cyan-4-methyl-2-(4-morpholinyl)-6-oxo-1,6-dihydro-3-pyridinyl]methylen}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecansäure [German] [ACD/IUPAC Name]
11-[(5E)-5-{[1-Butyl-5-cyano-4-methyl-2-(4-morpholinyl)-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid [ACD/IUPAC Name]
11-[(5E)-5-{[1-Butyl-5-cyano-4-methyl-2-(morpholin-4-yl)-6-oxo-1,6-dihydropyridin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
3-Thiazolidineundecanoic acid, 5-[[1-butyl-5-cyano-1,6-dihydro-4-methyl-2-(4-morpholinyl)-6-oxo-3-pyridinyl]methylene]-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
Acide 11-[(5E)-5-{[1-butyl-5-cyano-4-méthyl-2-(4-morpholinyl)-6-oxo-1,6-dihydro-3-pyridinyl]méthylène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undécanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 339.3±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 76.79
ACD/KOC (pH 5.5): 462.12
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 7.41
Polar Surface Area: 172 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 466.8±5.0 cm3

Click to predict properties on the Chemicalize site


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