2-{[(4-ethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
2-{[(4-ethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0664 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole |
| Molecular Weight: | 513.72 |
| Molecular Formula: | C27 H35 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCc1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC(C)C2)(=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5681 |
| logD: | 5.5678 |
| logSw: | -5.3431 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.776 |
| InChI Key: | USBZAKGOCSZEQY-UHFFFAOYSA-N |