2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 4327-0727 |
| Compound Name: | 2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C1CCN(CC1)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1863 |
| logD: | 4.1783 |
| logSw: | -4.3224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.513 |
| InChI Key: | VUOODUJQDBWNHX-UHFFFAOYSA-N |