1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one
Chemical Structure Depiction of
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one
Compound characteristics
| Compound ID: | T634-0494 |
| Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-(2-methoxyethoxy)ethan-1-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C21 H32 N2 O4 |
| Smiles: | COCCOCC(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6258 |
| logD: | 0.0197 |
| logSw: | -2.0596 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.334 |
| InChI Key: | FWMXTLSEMSMDJJ-UHFFFAOYSA-N |