3-methyl-1-[7-(morpholin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[7-(morpholin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-1-[7-(morpholin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S555-0013 |
| Compound Name: | 3-methyl-1-[7-(morpholin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | CC(C)CC(N1CCOc2ccc(cc2C1)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3932 |
| logD: | 2.393 |
| logSw: | -2.8794 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.936 |
| InChI Key: | ULTRSPFKXYHDNI-UHFFFAOYSA-N |