(2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
Chemical Structure Depiction of
(2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
(2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid
Compound characteristics
| Compound ID: | Y042-3045 |
| Compound Name: | (2S)-4-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C13 H15 N O3 S |
| Smiles: | CC(C)C[C@@H](C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3245 |
| logD: | -1.7441 |
| logSw: | -2.7314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.792 |
| InChI Key: | WTOCONRTVKSQIG-JTQLQIEISA-N |