(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Chemical Structure Depiction of
(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
(2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid
Compound characteristics
| Compound ID: | Y041-4794 |
| Compound Name: | (2S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoic acid |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C12 H13 N O3 S |
| Smiles: | CC(C)[C@@H](C(O)=O)N1C(c2ccccc2S1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0308 |
| logD: | -2.007 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.828 |
| InChI Key: | WWXBUKVYEVDASM-JTQLQIEISA-N |