1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | T634-0501 |
| Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | CC(C)CC(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8759 |
| logD: | 2.2699 |
| logSw: | -3.8405 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.6387 |
| InChI Key: | KAUJKTCQPNBNRZ-UHFFFAOYSA-N |