3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0032 |
| Compound Name: | 3-(4-methylphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | Cc1ccc(cc1)c1nnc2n1nc(COc1ccccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.839 |
| logD: | 3.839 |
| logSw: | -3.9337 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.716 |
| InChI Key: | IPRNHULSQSKJKQ-UHFFFAOYSA-N |