3-(5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4578-0093 |
| Compound Name: | 3-(5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C26 H25 N5 O4 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccccc2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5908 |
| logD: | -0.9418 |
| logSw: | -1.9958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.41 |
| InChI Key: | IPTIRIMAMWZYGE-UHFFFAOYSA-N |