3-methyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S979-0325 |
| Compound Name: | 3-methyl-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C20 H28 N2 O3 |
| Smiles: | CC(C)CC(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0145 |
| logD: | 3.0145 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.372 |
| InChI Key: | JCRWSROYSKJBCT-OAHLLOKOSA-N |