6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-9686 |
| Compound Name: | 6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C26 H29 N7 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1314 |
| logD: | 4.5856 |
| logSw: | -5.1632 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.866 |
| InChI Key: | VSLVNDXIXDLVFK-UHFFFAOYSA-N |