2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0640 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)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: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1ccc(C)c(C)c1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8929 |
| logD: | 5.8926 |
| logSw: | -5.4187 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.776 |
| InChI Key: | IXKHLVAUXHAGLT-UHFFFAOYSA-N |