4-phenyl-1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}butan-1-one
Chemical Structure Depiction of
4-phenyl-1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}butan-1-one
4-phenyl-1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S545-0561 |
| Compound Name: | 4-phenyl-1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}butan-1-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | C1CCC(c2nc(c3cccnc3)no2)N(CC1)C(CCCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6647 |
| logD: | 4.026 |
| logSw: | -4.483 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.308 |
| InChI Key: | NEMXLRMSNRGOAD-FQEVSTJZSA-N |