ethyl 4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
ethyl 4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
ethyl 4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V007-9722 |
| Compound Name: | ethyl 4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 557.73 |
| Molecular Formula: | C28 H35 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC(C)C2)(=O)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2389 |
| logD: | 5.2386 |
| logSw: | -4.9976 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.53 |
| InChI Key: | GDASBUPNFGWAOV-UHFFFAOYSA-N |