3-methyl-6-(2-methylpropyl)-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-(2-methylpropyl)-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-(2-methylpropyl)-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V008-2021 |
| Compound Name: | 3-methyl-6-(2-methylpropyl)-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C27 H29 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9425 |
| logD: | 5.4237 |
| logSw: | -6.0934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.484 |
| InChI Key: | KSSHXYABTOMFIV-UHFFFAOYSA-N |