2-(azepan-1-yl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)ethan-1-one
2-(azepan-1-yl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S615-0437 |
| Compound Name: | 2-(azepan-1-yl)-1-(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | Cc1cccc(c1)OCCc1nc(C2CCN(C2)C(CN2CCCCCC2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8441 |
| logD: | 2.8014 |
| logSw: | -3.7461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.808 |
| InChI Key: | YNIKVFGKAAPJIV-LJQANCHMSA-N |