N,N-dimethyl-3-{3-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
Chemical Structure Depiction of
N,N-dimethyl-3-{3-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
N,N-dimethyl-3-{3-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
Compound characteristics
Compound ID: | D727-0727 |
Compound Name: | N,N-dimethyl-3-{3-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline |
Molecular Weight: | 367.47 |
Molecular Formula: | C18 H21 N7 S |
Smiles: | CC(C)Cc1cc(c2nnc3n2nc(c2cccc(c2)N(C)C)s3)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 4.1205 |
logD: | 4.1191 |
logSw: | -4.191 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.783 |
InChI Key: | HCCDNKLUDCLDTQ-UHFFFAOYSA-N |