1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S545-0579 |
| Compound Name: | 1-{2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | C1CCC(c2nc(c3cccnc3)no2)N(CC1)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2013 |
| logD: | 2.5626 |
| logSw: | -2.9175 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.326 |
| InChI Key: | VMSSPGBTXRZTKA-INIZCTEOSA-N |