ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)sulfanyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)sulfanyl]-1H-benzimidazole-5-carboxylate
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)sulfanyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V031-0962 |
| Compound Name: | ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)sulfanyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCc1ccc(cc1)OC)SCC(NCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6834 |
| logD: | 4.6829 |
| logSw: | -4.3952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.768 |
| InChI Key: | LWLOKYZELLWVHU-UHFFFAOYSA-N |