4-{6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}-N,N-dimethylaniline
Chemical Structure Depiction of
4-{6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}-N,N-dimethylaniline
4-{6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}-N,N-dimethylaniline
Compound characteristics
Compound ID: | D727-0038 |
Compound Name: | 4-{6-[(2-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}-N,N-dimethylaniline |
Molecular Weight: | 385.87 |
Molecular Formula: | C18 H16 Cl N5 O S |
Smiles: | CN(C)c1ccc(cc1)c1nnc2n1nc(COc1ccccc1[Cl])s2 |
Stereo: | ACHIRAL |
logP: | 3.9289 |
logD: | 3.9288 |
logSw: | -4.3194 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 44.607 |
InChI Key: | JRHZQVQQGYPIRZ-UHFFFAOYSA-N |