2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole
2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8011-3468 |
| Compound Name: | 2-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C15 H10 N4 O2 S2 |
| Smiles: | C(c1nc2ccc(cc2[nH]1)[N+]([O-])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7535 |
| logD: | 4.7534 |
| logSw: | -4.8681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.711 |
| InChI Key: | CVJXGTXQPQJAIA-UHFFFAOYSA-N |