1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methyl-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-(2-methyl-1H-imidazol-1-yl)ethan-1-one
1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC09-0096 |
| Compound Name: | 1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C22 H22 F N3 O2 |
| Smiles: | Cc1nccn1CC(N1Cc2cc(ccc2OC[C@@H]1C)c1cccc(c1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4948 |
| logD: | 2.4697 |
| logSw: | -3.6073 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.373 |
| InChI Key: | HUMASNMZJDONQH-OAHLLOKOSA-N |