4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V015-0195 |
| Compound Name: | 4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 618.11 |
| Molecular Formula: | C30 H28 Cl N7 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCN(CC2)S(c2ccc(c(c2)[N+]([O-])=O)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1689 |
| logD: | 6.0672 |
| logSw: | -6.1876 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.293 |
| InChI Key: | SAKZLMZSPVFZBH-UHFFFAOYSA-N |