ethyl 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V012-3647 |
| Compound Name: | ethyl 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C25 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3223 |
| logD: | 5.8144 |
| logSw: | -5.502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.774 |
| InChI Key: | YHJOBWIVHRXZJK-UHFFFAOYSA-N |