2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl acetate
Chemical Structure Depiction of
2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl acetate
2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl acetate
Compound characteristics
| Compound ID: | V001-6954 |
| Compound Name: | 2-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl acetate |
| Molecular Weight: | 543.7 |
| Molecular Formula: | C27 H33 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1ccccc1OC(C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7151 |
| logD: | 4.7148 |
| logSw: | -4.5401 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.614 |
| InChI Key: | KYVLVHMJRLXCPG-UHFFFAOYSA-N |