2-{2-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{2-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole
2-{2-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8019-6911 |
| Compound Name: | 2-{2-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C22 H12 Cl N5 S2 |
| Smiles: | c1ccc(c(c1)c1nc2ccccc2s1)c1nn2c(c3ccc(cc3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.186 |
| logD: | 6.186 |
| logSw: | -6.6048 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.171 |
| InChI Key: | MCJIPXAIZZYVJK-UHFFFAOYSA-N |