ChemSpider 2D Image | MFCD03091235 | C26H24N6O2S2

MFCD03091235

  • Molecular FormulaC26H24N6O2S2
  • Average mass516.638 Da
  • Monoisotopic mass516.140198 Da
  • ChemSpider ID22902146

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(E)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[[3-(1H-imidazol-1-yl)propyl]amino]-9-methyl-3-[(E)-[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
MFCD03091235

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.26
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.63
ACD/KOC (pH 7.4): 137.49
Polar Surface Area: 140 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 371.4±7.0 cm3

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