3-methyl-6-[(4-methylphenyl)methyl]-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-[(4-methylphenyl)methyl]-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-[(4-methylphenyl)methyl]-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-9664 |
| Compound Name: | 3-methyl-6-[(4-methylphenyl)methyl]-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 597.7 |
| Molecular Formula: | C31 H31 N7 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8824 |
| logD: | 5.7806 |
| logSw: | -5.8398 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.925 |
| InChI Key: | GBXHICJIOCDYCD-UHFFFAOYSA-N |