3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | 8014-1742 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C16 H11 N5 S2 |
| Smiles: | C(c1nc2ccccc2[nH]1)Sc1nnc2n1c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8605 |
| logD: | 3.8563 |
| logSw: | -4.2468 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.588 |
| InChI Key: | XHRZMNFEMFMWCC-UHFFFAOYSA-N |