1-(3-chlorophenyl)-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
1-(3-chlorophenyl)-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V030-5095 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 539.1 |
| Molecular Formula: | C27 H31 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCN(CC1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.915 |
| logD: | 6.7919 |
| logSw: | -6.4846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.131 |
| InChI Key: | JYLUOSGEHYPPBZ-UHFFFAOYSA-N |