ChemSpider 2D Image | 3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C31H29N5O3S2

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC31H29N5O3S2
  • Average mass583.724 Da
  • Monoisotopic mass583.171204 Da
  • ChemSpider ID4781810

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-2-[4-(4-méthoxyphényl)-1-pipérazinyl]-9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[4-(4-methoxyphenyl)-1-piperazinyl]-9-methyl-3-[(Z)-[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
(5Z)-3-benzyl-5-({2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-benzyl-5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
5-({2-[4-(4-methoxyphenyl)piperazinyl]-9-methyl-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-3-benzyl-2-thioxo-1,3-thiazolidin-4-one
519009-64-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 30.77
Polar Surface Area: 126 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 430.0±7.0 cm3

Click to predict properties on the Chemicalize site


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