3-Benzyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
380889-71-4- Standard SMILES
Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1- InChIKey
CZPJWEJQMIUYQX-UHFFFAOYSA-N- Molecular formula
- C25H24N4O2S2
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 3-benzyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- (Z)-3-benzyl-5-((7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
- Molecular formula
- C25H24N4O2S2
- Molecular weight
- 476.62
Names & synonyms
AKOS034472788(Z)-3-benzyl-5-((7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-3-[[4-oxo-3-(phenylmethyl)-2-thioxo-5-thiazolidinylidene]methyl]-2-(1-piperidinyl)-
Database identifiers
- CAS
380889-71-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 548.8 · 548.8±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.70(Predicted)
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Compound notes
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