2-(1-acetylpiperidin-4-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(1-acetylpiperidin-4-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(1-acetylpiperidin-4-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0037 |
| Compound Name: | 2-(1-acetylpiperidin-4-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C25 H29 F N2 O3 |
| Smiles: | CC(N1CCC(CC1)CC(N1Cc2cc(ccc2OC[C@@H]1C)c1ccc(cc1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.5306 |
| logD: | 4.5306 |
| logSw: | -4.4748 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.203 |
| InChI Key: | BZRTZLIHGAEDDE-QGZVFWFLSA-N |