4-(4-propoxyphenyl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-propoxyphenyl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
4-(4-propoxyphenyl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0055 |
| Compound Name: | 4-(4-propoxyphenyl)-2-(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C22 H18 F3 N3 O2 S |
| Smiles: | CCCOc1ccc(cc1)C1N=C(c2cccs2)Nc2ccc(cc2N=1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.7259 |
| logD: | 6.7258 |
| logSw: | -5.788 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.848 |
| InChI Key: | JBSRCPPXIZLJPD-UHFFFAOYSA-N |