2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | V012-7847 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C26 H31 N5 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1nc2ccccc2[nH]1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7424 |
| logD: | 4.733 |
| logSw: | -4.4463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.058 |
| InChI Key: | SUIGFJISDORYRE-UHFFFAOYSA-N |