1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | T634-0336 |
| Compound Name: | 1-{7-[(diethylamino)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-3-methylbutan-1-one |
| Molecular Weight: | 318.46 |
| Molecular Formula: | C19 H30 N2 O2 |
| Smiles: | CCN(CC)Cc1ccc2c(CN(CCO2)C(CC(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2671 |
| logD: | 1.5135 |
| logSw: | -3.1782 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.0078 |
| InChI Key: | SUWGWIDHAMQZSH-UHFFFAOYSA-N |