1-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propan-2-one
Chemical Structure Depiction of
1-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propan-2-one
1-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propan-2-one
Compound characteristics
| Compound ID: | 7839-0019 |
| Compound Name: | 1-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]propan-2-one |
| Molecular Weight: | 263.34 |
| Molecular Formula: | C11 H9 N3 O S2 |
| Smiles: | CC(CSc1nnc2n1c1ccccc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1109 |
| logD: | 2.1109 |
| logSw: | -2.2701 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.913 |
| InChI Key: | DJWRLJURCGITDY-UHFFFAOYSA-N |