2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8016-6360 |
| Compound Name: | 2-[([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: | CC(C(O)=O)Sc1nnc2n1c1ccccc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9978 |
| logD: | -1.2086 |
| logSw: | -2.0987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.986 |
| InChI Key: | PLHCMMFAXPTJNX-LURJTMIESA-N |