1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-imidazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-imidazol-1-yl)ethan-1-one
1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0148 |
| Compound Name: | 1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C21 H20 F N3 O2 |
| Smiles: | C[C@H]1COc2ccc(cc2CN1C(Cn1ccnc1)=O)c1cccc(c1)F |
| Stereo: | ABSOLUTE |
| logP: | 3.4477 |
| logD: | 3.284 |
| logSw: | -3.5711 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.637 |
| InChI Key: | LJAUWSOXSYLNDP-OAHLLOKOSA-N |