4-[4-(4-chlorobenzene-1-sulfonyl)-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-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V018-9829 |
| Compound Name: | 4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 587.14 |
| Molecular Formula: | C31 H31 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccccc4)c3n2)N2CCCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5514 |
| logD: | 6.4497 |
| logSw: | -6.4366 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.544 |
| InChI Key: | CWGFPHPHCFCWFF-UHFFFAOYSA-N |