N-(4-{[3,6-dimethyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[3,6-dimethyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[3,6-dimethyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-3820 |
| Compound Name: | N-(4-{[3,6-dimethyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c2c(c(C)n1)c(NC1CCC(CC1)NC(c1ccc3c(c1)OCO3)=O)nc(C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.6562 |
| logD: | 4.2985 |
| logSw: | -4.6893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.864 |
| InChI Key: | VOMHDVSDXYVKCR-UHFFFAOYSA-N |