methyl 3-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
methyl 3-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V007-3574 |
| Compound Name: | methyl 3-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 543.7 |
| Molecular Formula: | C27 H33 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1cccc(c1)C(=O)OC)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8999 |
| logD: | 4.8996 |
| logSw: | -4.7317 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.95 |
| InChI Key: | AQZXZIUXVFOQAG-UHFFFAOYSA-N |