2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 8012-5724 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 285.32 |
| Molecular Formula: | C14 H11 N3 O2 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.3178 |
| logD: | 3.3087 |
| logSw: | -3.6792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.361 |
| InChI Key: | YHIXOGCJHQORFX-UHFFFAOYSA-N |