ChemSpider 2D Image | 11-[(5E)-5-({2-[(3-Isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid | C30H42N4O5S2

11-[(5E)-5-({2-[(3-Isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

  • Molecular FormulaC30H42N4O5S2
  • Average mass602.808 Da
  • Monoisotopic mass602.259644 Da
  • ChemSpider ID11893536

  • Double-bond stereo - Double-bond stereo

More details:

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

11-[(5E)-5-({2-[(3-Isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylen)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecansäure [German] [ACD/IUPAC Name]
11-[(5E)-5-({2-[(3-Isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid [ACD/IUPAC Name]
3-Thiazolidineundecanoic acid, 5-[[9-methyl-2-[[3-(1-methylethoxy)propyl]amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
Acide 11-[(5E)-5-({2-[(3-isopropoxypropyl)amino]-9-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}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: 660.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±6.0 kJ/mol
Flash Point: 353.2±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 166.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 45.16
ACD/KOC (pH 5.5): 316.04
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.07
Polar Surface Area: 169 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 476.3±7.0 cm3

Click to predict properties on the Chemicalize site


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