1-[(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
1-[(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S978-0251 |
| Compound Name: | 1-[(3S)-3-methyl-7-[(morpholin-4-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C23 H28 N2 O4 |
| Smiles: | C[C@H]1COc2ccc(CN3CCOCC3)cc2CN1C(COc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6899 |
| logD: | 2.628 |
| logSw: | -2.8903 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.227 |
| InChI Key: | OCIKSXBDXLSDCN-SFHVURJKSA-N |