2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzonitrile
2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | V003-0444 |
| Compound Name: | 2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C26 H30 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1ccccc1C#N)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7175 |
| logD: | 4.7172 |
| logSw: | -4.4804 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.832 |
| InChI Key: | QUBFNHWSEKIUEG-UHFFFAOYSA-N |