N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methoxybenzene-1-sulfonamide
N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V026-2082 |
| Compound Name: | N-(4-{[6-ethyl-3-methyl-1-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-4-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 534.68 |
| Molecular Formula: | C28 H34 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCc1nc(c2c(C)nn(c3ccccc3C)c2n1)NC1CCC(CC1)NS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3559 |
| logD: | 5.0957 |
| logSw: | -5.5033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.927 |
| InChI Key: | IJLOOJWQTNOOKI-UHFFFAOYSA-N |