2,4-di(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2,4-di(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
2,4-di(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0056 |
| Compound Name: | 2,4-di(thiophen-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 393.41 |
| Molecular Formula: | C17 H10 F3 N3 O S2 |
| Smiles: | c1cc(C2Nc3ccc(cc3N=C(c3cccs3)N=2)OC(F)(F)F)sc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6035 |
| logD: | 5.6034 |
| logSw: | -5.9517 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.449 |
| InChI Key: | MBSOCHVFYMZSQF-UHFFFAOYSA-N |