4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V001-4182 |
| Compound Name: | 4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 531.46 |
| Molecular Formula: | C24 H24 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C)nc2n(c2ccccc2[Cl])n1)N1CCCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0604 |
| logD: | 4.7409 |
| logSw: | -5.2639 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.137 |
| InChI Key: | SFRJPLBCADKZAR-UHFFFAOYSA-N |