2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethoxy-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethoxy-1H-benzimidazole
2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethoxy-1H-benzimidazole
Compound characteristics
| Compound ID: | 8018-3534 |
| Compound Name: | 2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethoxy-1H-benzimidazole |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C16 H14 Cl N3 O4 S |
| Smiles: | COc1cc2c(cc1OC)[nH]c(n2)SCc1cc(ccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7012 |
| logD: | 3.2443 |
| logSw: | -4.0344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.622 |
| InChI Key: | OELFLZXJBNZFDH-UHFFFAOYSA-N |