3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-9721 |
| Compound Name: | 3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 606.67 |
| Molecular Formula: | C31 H29 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCN(CC2)S(c2cccc(c2)C(F)(F)F)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5547 |
| logD: | 6.4529 |
| logSw: | -6.2239 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.213 |
| InChI Key: | SSQCQQHFOLPSGE-UHFFFAOYSA-N |