(3S)-4-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0507 |
| Compound Name: | (3S)-4-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-7-(pyridin-3-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 427.31 |
| Molecular Formula: | C22 H20 Br F N2 O |
| Smiles: | C[C@H]1COc2ccc(cc2CN1Cc1cc(ccc1F)[Br])c1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 5.31 |
| logD: | 5.1698 |
| logSw: | -5.2849 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.1102 |
| InChI Key: | WQNVSTAFNIHLGI-HNNXBMFYSA-N |