4-{3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline
Chemical Structure Depiction of
4-{3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline
4-{3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline
Compound characteristics
| Compound ID: | D727-0717 |
| Compound Name: | 4-{3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N,N-dimethylaniline |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C24 H25 N7 S |
| Smiles: | Cc1c(CCc2nnc3n2nc(c2ccc(cc2)N(C)C)s3)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9785 |
| logD: | 3.9781 |
| logSw: | -4.2303 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 51.921 |
| InChI Key: | HZNKCARBOCXEOG-UHFFFAOYSA-N |