1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(4-methylphenoxy)ethan-1-one
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S545-0138 |
| Compound Name: | 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCCCCC1c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0762 |
| logD: | 3.0762 |
| logSw: | -2.9801 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.174 |
| InChI Key: | BNSIVJXOEUURFX-INIZCTEOSA-N |