ChemSpider 2D Image | 3-{(E)-[3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one | C27H26N6O5S2

3-{(E)-[3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC27H26N6O5S2
  • Average mass578.662 Da
  • Monoisotopic mass578.140625 Da
  • ChemSpider ID12056823

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(E)-[3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-{(E)-[3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{(E)-[3-(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-2-{[2-(2-hydroxyéthoxy)éthyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[3-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[[2-(2-hydroxyethoxy)ethyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 655.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.4±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.48
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.48
Polar Surface Area: 175 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


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