N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | S545-0397 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | C1CCC(c2nc(c3ccccc3)no2)N(CC1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0792 |
| logD: | 4.0792 |
| logSw: | -4.131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.961 |
| InChI Key: | ZNCKZVGAZQYLQK-SFHVURJKSA-N |