4-{[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
4-{[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y505-3272 |
| Compound Name: | 4-{[4-oxo-2-(piperidin-1-yl)-1,3-thiazol-5(4H)-ylidene]methyl}benzoic acid |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | C1CCN(CC1)C1=NC(/C(=C/c2ccc(cc2)C(O)=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0456 |
| logD: | -0.5612 |
| logSw: | -3.178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.003 |
| InChI Key: | BOHJANKWUOPAIE-UHFFFAOYSA-N |