ethyl 2-{[(naphthalen-1-yl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(naphthalen-1-yl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(naphthalen-1-yl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V005-5413 |
| Compound Name: | ethyl 2-{[(naphthalen-1-yl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C27 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4637 |
| logD: | 6.2943 |
| logSw: | -6.4202 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.503 |
| InChI Key: | KQHIXNYSSCMEGI-UHFFFAOYSA-N |