(5-{[2-(4-carbamoylpiperidin-1-yl)-7-methyl-4-oxo-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-{[2-(4-carbamoylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[2-(4-carbamoylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 5815-0901 |
| Compound Name: | (5-{[2-(4-carbamoylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C21 H21 N5 O5 S2 |
| Smiles: | CC1C=CC2=NC(=C(\C=C3/C(N(CC(O)=O)C(=S)S3)=O)C(N2C=1)=O)N1CCC(CC1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4554 |
| logD: | -3.5744 |
| logSw: | -0.9774 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.469 |
| InChI Key: | VITFWTMYLRPAER-UHFFFAOYSA-N |