4,7-dimethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
4,7-dimethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
4,7-dimethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 8018-9277 |
| Compound Name: | 4,7-dimethoxy-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C17 H17 N3 O5 S |
| Smiles: | COc1ccc(CSc2nc3c(ccc(c3[nH]2)OC)OC)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7056 |
| logD: | 2.6979 |
| logSw: | -3.157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.493 |
| InChI Key: | GXARLIJRCJWHOZ-UHFFFAOYSA-N |