1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methylphenyl)ethan-1-one
1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S979-0478 |
| Compound Name: | 1-[(3S)-3-methyl-7-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | Cc1ccccc1CC(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCOCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1547 |
| logD: | 3.1547 |
| logSw: | -3.0568 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.643 |
| InChI Key: | VTJPHZLXFVRBSE-GOSISDBHSA-N |