(5-{[7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 5815-0916 |
| Compound Name: | (5-{[7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(\C=C3/C(N(CC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.165 |
| logD: | -1.954 |
| logSw: | -1.7264 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.41 |
| InChI Key: | BMNAYDWQTJYEDZ-UHFFFAOYSA-N |