(2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid
Chemical Structure Depiction of
(2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid
(2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid
Compound characteristics
| Compound ID: | Y041-4802 |
| Compound Name: | (2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid |
| Molecular Weight: | 285.32 |
| Molecular Formula: | C15 H11 N O3 S |
| Smiles: | c1ccc(cc1)[C@@H](C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6616 |
| logD: | -1.6635 |
| logSw: | -3.2426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.556 |
| InChI Key: | RLULBIWQZOAADG-CYBMUJFWSA-N |