2-(4-fluorophenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0394 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[(3S)-3-methyl-7-(pyridin-4-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C23 H21 F N2 O3 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(COc1ccc(cc1)F)=O)c1ccncc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.9884 |
| logD: | 3.983 |
| logSw: | -4.1286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.742 |
| InChI Key: | ZTSHQWAXSHYYLR-INIZCTEOSA-N |