4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V031-0292 |
| Compound Name: | 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 552.7 |
| Molecular Formula: | C31 H32 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)S(c2ccccc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7717 |
| logD: | 5.6699 |
| logSw: | -5.8398 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.544 |
| InChI Key: | DXVFSOIXXYPKHN-UHFFFAOYSA-N |