ChemSpider 2D Image | 3-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid | C28H28N4O4S2

3-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID4835179

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylen}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propansäure [German] [ACD/IUPAC Name]
3-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid [ACD/IUPAC Name]
3-[(5Z)-5-{[2-(4-Benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
3-Thiazolidinepropanoic acid, 5-[[9-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperidinyl]-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-, (5Z)- [ACD/Index Name]
Acide 3-[(5Z)-5-{[2-(4-benzyl-1-pipéridinyl)-9-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]méthylène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoïque [French] [ACD/IUPAC Name]
(Z)-3-(5-((2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
3-[(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3-[(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
3-[5-({9-methyl-4-oxo-2-[4-benzylpiperidyl](5-hydropyridino[1,2-a]pyrimidin-3-yl)}methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
608119-67-1 [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: 640.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.9±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 30.39
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 388.6±7.0 cm3

Click to predict properties on the Chemicalize site


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