4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0294F |
| Compound Name: | 4-(pyridin-3-yl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 388.37 |
| Molecular Formula: | C18 H11 F3 N4 O S |
| Smiles: | c1cc(cnc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.4355 |
| logD: | 4.4354 |
| logSw: | -4.3612 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.948 |
| InChI Key: | MLGPUCWPAXLDGO-UHFFFAOYSA-N |