3-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
3-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 6141-0004 |
| Compound Name: | 3-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 279.34 |
| Molecular Formula: | C11 H9 N3 O2 S2 |
| Smiles: | C(CSc1nnc2n1c1ccccc1s2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7618 |
| logD: | -0.9339 |
| logSw: | -1.9459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.962 |
| InChI Key: | SHBILBIKDTZGNX-UHFFFAOYSA-N |