2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0058 |
| Compound Name: | 2-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C21 H13 F4 N3 |
| Smiles: | c1ccc2c(c1)NC(c1ccc(cc1)F)=NC(c1cccc(c1)C(F)(F)F)=N2 |
| Stereo: | ACHIRAL |
| logP: | 5.3646 |
| logD: | 5.3636 |
| logSw: | -6.2415 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4751 |
| InChI Key: | DBJJNZBEJMGHDI-UHFFFAOYSA-N |