3-[(4-chlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D228-1515 |
Compound Name: | 3-[(4-chlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 400.84 |
Molecular Formula: | C18 H13 Cl N4 O3 S |
Smiles: | C1COc2cc(ccc2O1)c1nn2c(COc3ccc(cc3)[Cl])nnc2s1 |
Stereo: | ACHIRAL |
logP: | 2.7653 |
logD: | 2.7653 |
logSw: | -3.4766 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.02 |
InChI Key: | HNFHYQDRRXHABV-UHFFFAOYSA-N |