N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(ethylsulfanyl)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-(ethylsulfanyl)benzamide
N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(ethylsulfanyl)benzamide
Compound characteristics
| Compound ID: | F614-0565 |
| Compound Name: | N-{1-[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-(ethylsulfanyl)benzamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C26 H25 N7 O S |
| Smiles: | CCSc1ccccc1C(Nc1cc(C)nn1c1c2cnn(c3ccc(C)cc3C)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7084 |
| logD: | 5.6784 |
| logSw: | -5.4408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.44 |
| InChI Key: | ADECSHUAWMZZNB-UHFFFAOYSA-N |