2-(4-fluorophenyl)-7-methoxy-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-fluorophenyl)-7-methoxy-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
2-(4-fluorophenyl)-7-methoxy-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0009 |
| Compound Name: | 2-(4-fluorophenyl)-7-methoxy-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 413.37 |
| Molecular Formula: | C22 H15 F4 N3 O |
| Smiles: | COc1ccc2c(c1)N=C(c1ccc(cc1)C(F)(F)F)N=C(c1ccc(cc1)F)N2 |
| Stereo: | ACHIRAL |
| logP: | 5.7737 |
| logD: | 5.771 |
| logSw: | -5.7004 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | UWOLXZZWSCNBIQ-UHFFFAOYSA-N |