N-(2H-1,3-benzodioxol-5-yl)-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-(2H-1,3-benzodioxol-5-yl)-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K405-3452 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Molecular Weight: | 379.8 |
| Molecular Formula: | C19 H14 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1n1c2c(cn1)c(Nc1ccc3c(c1)OCO3)ncn2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9851 |
| logD: | 4.9849 |
| logSw: | -4.9446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.842 |
| InChI Key: | SQGCVHGYACTUHF-UHFFFAOYSA-N |