3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | 6023-0011 |
| Compound Name: | 3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C16 H10 N6 O2 S2 |
| Smiles: | C(c1nc2cc(ccc2[nH]1)[N+]([O-])=O)Sc1nnc2n1c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9102 |
| logD: | 3.8904 |
| logSw: | -4.1996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.97 |
| InChI Key: | KJDIQVIOJNWPSC-UHFFFAOYSA-N |