2-(benzylsulfanyl)-N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
2-(benzylsulfanyl)-N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide
Compound characteristics
| Compound ID: | F614-0261 |
| Compound Name: | 2-(benzylsulfanyl)-N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}acetamide |
| Molecular Weight: | 489.99 |
| Molecular Formula: | C24 H20 Cl N7 O S |
| Smiles: | Cc1cc(NC(CSCc2ccccc2)=O)n(c2c3cnn(c4cccc(c4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8636 |
| logD: | 4.8595 |
| logSw: | -4.8634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.527 |
| InChI Key: | VJFHTPMXDTUTIK-UHFFFAOYSA-N |