7-fluoro-2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-fluoro-2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
7-fluoro-2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0033 |
| Compound Name: | 7-fluoro-2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 401.34 |
| Molecular Formula: | C21 H12 F5 N3 |
| Smiles: | c1cc(cc(c1)C(F)(F)F)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)F |
| Stereo: | ACHIRAL |
| logP: | 5.4732 |
| logD: | 5.4707 |
| logSw: | -6.3497 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4751 |
| InChI Key: | NELHUVLVQQAZLS-UHFFFAOYSA-N |