7-bromo-2-(4-fluorophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-bromo-2-(4-fluorophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-bromo-2-(4-fluorophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0347 |
| Compound Name: | 7-bromo-2-(4-fluorophenyl)-4-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C18 H11 Br F N3 S |
| Smiles: | c1cc(C2N=C(c3ccc(cc3)F)Nc3ccc(cc3N=2)[Br])sc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2559 |
| logD: | 5.2527 |
| logSw: | -5.7695 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.493 |
| InChI Key: | IIDBFDBDTIWEIH-UHFFFAOYSA-N |