2-(2-fluorophenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-fluorophenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(2-fluorophenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0265 |
| Compound Name: | 2-(2-fluorophenyl)-1-[(3S)-3-methyl-7-(pyrimidin-5-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C22 H20 F N3 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cc1ccccc1F)=O)c1cncnc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3501 |
| logD: | 3.3501 |
| logSw: | -3.4471 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.565 |
| InChI Key: | OSSCFJUUXZFZMJ-HNNXBMFYSA-N |