2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V007-4115 |
| Compound Name: | 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C25 H31 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3707 |
| logD: | 4.3704 |
| logSw: | -4.2037 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.332 |
| InChI Key: | CZFONRRTEODJFC-OAQYLSRUSA-N |