2-(benzylsulfanyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
2-(benzylsulfanyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
Compound characteristics
| Compound ID: | F614-0449 |
| Compound Name: | 2-(benzylsulfanyl)-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C26 H25 N7 O S |
| Smiles: | Cc1cccc(c1C)n1c2c(cn1)c(ncn2)n1c(cc(C)n1)NC(CSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1239 |
| logD: | 5.1188 |
| logSw: | -4.9843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.227 |
| InChI Key: | QRBNJNCCJOJXBT-UHFFFAOYSA-N |