N-(2-{[1-(3-chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[1-(3-chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzene-1-sulfonamide
N-(2-{[1-(3-chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-8166 |
| Compound Name: | N-(2-{[1-(3-chlorophenyl)-6-cyclohexyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 555.1 |
| Molecular Formula: | C27 H31 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNS(c3ccc(cc3)OC)(=O)=O)nc(C3CCCCC3)nc2n(c2cccc(c2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0002 |
| logD: | 5.7257 |
| logSw: | -6.1804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.641 |
| InChI Key: | DJJLADIKSQCHIT-UHFFFAOYSA-N |