N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
Compound characteristics
| Compound ID: | S545-0550 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H23 N5 O4 |
| Smiles: | C1CCC(c2nc(c3cccnc3)no2)N(CC1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7037 |
| logD: | 2.065 |
| logSw: | -3.0697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.479 |
| InChI Key: | UEMHQWWRIXOOBW-KRWDZBQOSA-N |