4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutanoic acid
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8016-7469 |
| Compound Name: | 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | C1CN(CCC1c1nc2ccccc2s1)C(CCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8893 |
| logD: | -1.0601 |
| logSw: | -2.0459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.464 |
| InChI Key: | QFXBRTRUIPJKDK-UHFFFAOYSA-N |