2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0300 |
| Compound Name: | 2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 371.38 |
| Molecular Formula: | C19 H12 F3 N3 S |
| Smiles: | c1ccc2c(c1)NC(c1cccs1)=NC(c1ccc(cc1)C(F)(F)F)=N2 |
| Stereo: | ACHIRAL |
| logP: | 5.2016 |
| logD: | 5.2008 |
| logSw: | -5.6506 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | KMVORECWYKBSLK-UHFFFAOYSA-N |