ChemSpider 2D Image | 3-{[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one | C23H29N5O4S2

3-{[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID3064425

More details:

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

3-{[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{[3-(3-Méthoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[[3-(3-methoxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[[3-(4-morpholinyl)propyl]amino]- [ACD/Index 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: 576.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.15
Polar Surface Area: 144 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 360.1±7.0 cm3

Click to predict properties on the Chemicalize site


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