[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-pyrazol-3-yl)methanone
[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | SC09-0013 |
| Compound Name: | [(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C20 H18 F N3 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(c1cc[nH]n1)=O)c1ccc(cc1)F |
| Stereo: | ABSOLUTE |
| logP: | 3.994 |
| logD: | 3.994 |
| logSw: | -4.3008 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.944 |
| InChI Key: | KDWYZRAQPLSXQG-CYBMUJFWSA-N |