6-butyl-3-methyl-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-1-phenyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V030-4310 |
| Compound Name: | 6-butyl-3-methyl-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: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0289 |
| logD: | 5.4831 |
| logSw: | -5.8777 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.484 |
| InChI Key: | QLSNLGHBDALVTH-UHFFFAOYSA-N |