2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0616 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazole |
| Molecular Weight: | 520.11 |
| Molecular Formula: | C25 H30 Cl N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1cccc(c1)[Cl])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5705 |
| logD: | 5.5702 |
| logSw: | -5.8749 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.776 |
| InChI Key: | ANPRREHKQNHLLF-UHFFFAOYSA-N |