4-(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-bromo-2-phenylquinoline
Chemical Structure Depiction of
4-(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-bromo-2-phenylquinoline
4-(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-bromo-2-phenylquinoline
Compound characteristics
| Compound ID: | 7101-0233 |
| Compound Name: | 4-(3-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-6-bromo-2-phenylquinoline |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C25 H16 Br N5 S |
| Smiles: | C(c1ccccc1)c1nnc2n1nc(c1cc(c3ccccc3)nc3ccc(cc13)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 6.5854 |
| logD: | 6.5834 |
| logSw: | -6.6546 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.757 |
| InChI Key: | VGCPAANJHOIFSZ-UHFFFAOYSA-N |