ChemSpider 2D Image | MFCD03933149 | C28H28N4O4S2

MFCD03933149

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID4782045

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thiazolidinebutanoic acid, 4-oxo-5-[[4-oxo-2-[4-(phenylmethyl)-1-piperidinyl]-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-, (5Z)- [ACD/Index Name]
4-((5Z)-5-{[2-(4-BENZYL-1-PIPERIDINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID
4-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylen}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butansäure [German] [ACD/IUPAC Name]
4-[(5Z)-5-{[2-(4-Benzyl-1-piperidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid [ACD/IUPAC Name]
4-[(5Z)-5-{[2-(4-Benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Acide 4-[(5Z)-5-{[2-(4-benzyl-1-pipéridinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]méthylène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoïque [French] [ACD/IUPAC Name]
MFCD03933149
(Z)-4-(5-((2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
4-[(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4-[(5Z)-5-{[2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 649.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 42.78
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: 60.4±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 389.5±7.0 cm3

Click to predict properties on the Chemicalize site


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