ChemSpider 2D Image | 3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-7-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one | C31H30N4O4S2

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-7-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC31H30N4O4S2
  • Average mass586.724 Da
  • Monoisotopic mass586.170837 Da
  • ChemSpider ID12056444

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden}methyl]-7-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(E)-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-7-methyl-2-[(2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(E)-{3-[2-(3,4-Diméthoxyphényl)éthyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène}méthyl]-7-méthyl-2-[(2-phényléthyl)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-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-7-methyl-2-[(2-phenylethyl)amino]- [ACD/Index 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: 659.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.7±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.61
ACD/KOC (pH 5.5): 1530.88
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.63
ACD/KOC (pH 7.4): 1531.01
Polar Surface Area: 141 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 447.3±7.0 cm3

Click to predict properties on the Chemicalize site


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