7-bromo-2-(4-fluorophenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-bromo-2-(4-fluorophenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
7-bromo-2-(4-fluorophenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0124 |
| Compound Name: | 7-bromo-2-(4-fluorophenyl)-4-(4-nitrophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 439.24 |
| Molecular Formula: | C20 H12 Br F N4 O2 |
| Smiles: | c1cc(ccc1C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3446 |
| logD: | 5.3425 |
| logSw: | -5.914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.857 |
| InChI Key: | UCUMTBJFJGHUAE-UHFFFAOYSA-N |