(2S)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-3-phenylpropanoic acid
Chemical Structure Depiction of
(2S)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-3-phenylpropanoic acid
(2S)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-3-phenylpropanoic acid
Compound characteristics
| Compound ID: | Y041-4798 |
| Compound Name: | (2S)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)-3-phenylpropanoic acid |
| Molecular Weight: | 299.35 |
| Molecular Formula: | C16 H13 N O3 S |
| Smiles: | C(c1ccccc1)[C@@H](C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7578 |
| logD: | -1.2835 |
| logSw: | -3.3472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.521 |
| InChI Key: | OEVDEDUEMHVAMJ-ZDUSSCGKSA-N |