1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-2-ethylbutan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-2-ethylbutan-1-one
1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | M128-0048 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-2-ethylbutan-1-one |
| Molecular Weight: | 247.34 |
| Molecular Formula: | C15 H21 N O2 |
| Smiles: | CCC(CC)C(N1CCOc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4047 |
| logD: | 3.4047 |
| logSw: | -3.2563 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.1024 |
| InChI Key: | GPKLMBPWWPWGIJ-UHFFFAOYSA-N |