6-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8018-2546 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 356.79 |
| Molecular Formula: | C16 H9 Cl N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nn2c(c3ccc(cc3)[Cl])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2076 |
| logD: | 4.2076 |
| logSw: | -4.6387 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.837 |
| InChI Key: | LBXGAEMFPTUXKC-UHFFFAOYSA-N |