7-fluoro-2-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-fluoro-2-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
7-fluoro-2-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0053 |
| Compound Name: | 7-fluoro-2-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 413.37 |
| Molecular Formula: | C22 H15 F4 N3 O |
| Smiles: | COc1ccc(cc1)C1Nc2ccc(cc2N=C(c2cccc(c2)C(F)(F)F)N=1)F |
| Stereo: | ACHIRAL |
| logP: | 5.4265 |
| logD: | 5.4257 |
| logSw: | -5.7577 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | MLRHNZYSLGGOHL-UHFFFAOYSA-N |