3-[(4-chlorophenyl)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenyl)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D228-1040 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 358.87 |
| Molecular Formula: | C16 H11 Cl N4 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc2n1nc(/C=C/c1cccs1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6912 |
| logD: | 3.6912 |
| logSw: | -4.2223 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.211 |
| InChI Key: | PCXPSWQGVIWYJU-UHFFFAOYSA-N |