3-[4-(azepan-1-yl)phenyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[4-(azepan-1-yl)phenyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[4-(azepan-1-yl)phenyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L471-1647 |
| Compound Name: | 3-[4-(azepan-1-yl)phenyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | C1CCCN(CC1)c1ccc(cc1)c1nc(C(NCc2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5446 |
| logD: | 4.5441 |
| logSw: | -4.3412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.228 |
| InChI Key: | CPTQXNNMZDXNTE-UHFFFAOYSA-N |