N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K405-3275 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])n1c2c(cn1)c(NCc1ccc3c(c1)OCO3)ncn2 |
| Stereo: | ACHIRAL |
| logP: | 4.8014 |
| logD: | 4.801 |
| logSw: | -4.8785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.465 |
| InChI Key: | MHYPCVGXHOCRIA-UHFFFAOYSA-N |