4-chloro-N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)benzene-1-sulfonamide
4-chloro-N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V026-2104 |
| Compound Name: | 4-chloro-N-(4-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)benzene-1-sulfonamide |
| Molecular Weight: | 545.49 |
| Molecular Formula: | C25 H26 Cl2 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(NC3CCC(CC3)NS(c3ccc(cc3)[Cl])(=O)=O)nc(C)nc2n(c2ccccc2[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5169 |
| logD: | 5.4278 |
| logSw: | -5.8575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.006 |
| InChI Key: | BLVGRZCHBXWOEJ-UHFFFAOYSA-N |