3-[(4-chlorophenoxy)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenoxy)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D228-1046 |
| Compound Name: | 3-[(4-chlorophenoxy)methyl]-6-[2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 374.87 |
| Molecular Formula: | C16 H11 Cl N4 O S2 |
| Smiles: | C(c1nnc2n1nc(/C=C/c1cccs1)s2)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4765 |
| logD: | 3.4765 |
| logSw: | -3.7517 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.71 |
| InChI Key: | YBXLGCKJOJAPCI-UHFFFAOYSA-N |