2-[(1H-benzimidazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole
2-[(1H-benzimidazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8009-7035 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C14 H8 N4 O2 S2 |
| Smiles: | c1ccc2c(c1)nc([nH]2)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1907 |
| logD: | 4.1896 |
| logSw: | -4.5026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.443 |
| InChI Key: | JVLXNNQUGMOOCV-UHFFFAOYSA-N |