rel-(5aR,9aS)-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0823 |
| Compound Name: | rel-(5aR,9aS)-7-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(CCc1nc(c2ccccc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7569 |
| logD: | 2.7565 |
| logSw: | -2.9692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.296 |
| InChI Key: | QNSFJSLZCNCIPB-OALUTQOASA-N |