5-[(4,7-dimethoxy-1H-benzimidazol-2-yl)sulfanyl]-8-nitroquinoline
Chemical Structure Depiction of
5-[(4,7-dimethoxy-1H-benzimidazol-2-yl)sulfanyl]-8-nitroquinoline
5-[(4,7-dimethoxy-1H-benzimidazol-2-yl)sulfanyl]-8-nitroquinoline
Compound characteristics
| Compound ID: | 8019-4079 |
| Compound Name: | 5-[(4,7-dimethoxy-1H-benzimidazol-2-yl)sulfanyl]-8-nitroquinoline |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C18 H14 N4 O4 S |
| Smiles: | COc1ccc(c2c1nc([nH]2)Sc1ccc(c2c1cccn2)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1417 |
| logD: | 3.1375 |
| logSw: | -3.4009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.396 |
| InChI Key: | PTYUDYVYUGEFGR-UHFFFAOYSA-N |