7-fluoro-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-fluoro-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
7-fluoro-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0045 |
| Compound Name: | 7-fluoro-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C21 H13 F4 N3 |
| Smiles: | c1ccc(cc1)C1Nc2ccc(cc2N=C(c2cccc(c2)C(F)(F)F)N=1)F |
| Stereo: | ACHIRAL |
| logP: | 5.3391 |
| logD: | 5.3379 |
| logSw: | -6.0962 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4751 |
| InChI Key: | NTHKGZWDTNHVMV-UHFFFAOYSA-N |