4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V021-7401 |
| Compound Name: | 4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 573.54 |
| Molecular Formula: | C27 H30 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3115 |
| logD: | 7.1884 |
| logSw: | -6.5382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.462 |
| InChI Key: | PNEKOWVCBXNFCJ-UHFFFAOYSA-N |