2-(4-methoxyphenyl)-4-phenyl-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-phenyl-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
2-(4-methoxyphenyl)-4-phenyl-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0023 |
| Compound Name: | 2-(4-methoxyphenyl)-4-phenyl-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 411.38 |
| Molecular Formula: | C22 H16 F3 N3 O2 |
| Smiles: | COc1ccc(cc1)C1Nc2ccc(cc2N=C(c2ccccc2)N=1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.8729 |
| logD: | 5.872 |
| logSw: | -5.7346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.956 |
| InChI Key: | NAYKEVZFOGMFDX-UHFFFAOYSA-N |