6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D727-0866 |
Compound Name: | 6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 354.43 |
Molecular Formula: | C17 H18 N6 O S |
Smiles: | CC(C)Cc1cc(c2nn3c(COc4ccccc4)nnc3s2)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 3.3743 |
logD: | 3.3743 |
logSw: | -3.65 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.453 |
InChI Key: | DUHBBZDJKPALPD-UHFFFAOYSA-N |