2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | V007-4114 |
| Compound Name: | 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole |
| Molecular Weight: | 529.72 |
| Molecular Formula: | C27 H35 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC(C)C2)(=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0064 |
| logD: | 5.0061 |
| logSw: | -4.5681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.9 |
| InChI Key: | UYZOMICAJVQLEV-UHFFFAOYSA-N |