ethyl 2-{[(pentamethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(pentamethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(pentamethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V007-1131 |
| Compound Name: | ethyl 2-{[(pentamethylphenyl)methyl]sulfanyl}-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C28 H31 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1c(C)c(C)c(C)c(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7941 |
| logD: | 6.6649 |
| logSw: | -5.7195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.774 |
| InChI Key: | DEBBQUGNHWSECF-UHFFFAOYSA-N |