3-methyl-1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
3-methyl-1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one
Compound characteristics
| Compound ID: | SC09-0500 |
| Compound Name: | 3-methyl-1-[(3S)-3-methyl-7-(pyridin-3-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]butan-1-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C20 H24 N2 O2 |
| Smiles: | CC(C)CC(N1Cc2cc(ccc2OC[C@@H]1C)c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8334 |
| logD: | 3.8266 |
| logSw: | -3.7905 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.604 |
| InChI Key: | BRGYZRZKYXRWNO-HNNXBMFYSA-N |