{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}[4-(2-methylpropyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}[4-(2-methylpropyl)piperazin-1-yl]methanone
{3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}[4-(2-methylpropyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | P642-1033 |
| Compound Name: | {3-[2-(azepan-1-yl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}[4-(2-methylpropyl)piperazin-1-yl]methanone |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C22 H32 N6 O2 |
| Smiles: | CC(C)CN1CCN(CC1)C(c1nc(c2ccnc(c2)N2CCCCCC2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1451 |
| logD: | 3.9584 |
| logSw: | -4.0732 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.671 |
| InChI Key: | NKKJTQBUMVSTPY-UHFFFAOYSA-N |