N,N-dimethyl-3-{4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-{4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N,N-dimethyl-3-{4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1158 |
| Compound Name: | N,N-dimethyl-3-{4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(CCc2nc(c3ccccc3)no2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1113 |
| logD: | 3.1113 |
| logSw: | -3.2366 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.12 |
| InChI Key: | PFOFSXUXPFEPIX-UHFFFAOYSA-N |