N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
Chemical Structure Depiction of
N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | F614-0185 |
| Compound Name: | N-{1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide |
| Molecular Weight: | 475.96 |
| Molecular Formula: | C23 H18 Cl N7 O S |
| Smiles: | Cc1cc(NC(c2ccccc2SC)=O)n(c2c3cnn(c4ccc(cc4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6752 |
| logD: | 4.6454 |
| logSw: | -4.8303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.741 |
| InChI Key: | LPQGPCOJFXKGOP-UHFFFAOYSA-N |