N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
Chemical Structure Depiction of
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | F614-0564 |
| Compound Name: | N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(methylsulfanyl)benzamide |
| Molecular Weight: | 469.57 |
| Molecular Formula: | C25 H23 N7 O S |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(cn1)c(ncn2)n1c(cc(C)n1)NC(c1ccccc1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1805 |
| logD: | 5.1505 |
| logSw: | -4.8734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.44 |
| InChI Key: | MCQHXMIJXFAAOO-UHFFFAOYSA-N |