N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K405-3528 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1n1c2c(cn1)c(NCc1ccc3c(c1)OCO3)ncn2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6349 |
| logD: | 4.6336 |
| logSw: | -4.6135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.164 |
| InChI Key: | QFOMAXFJCGTKIO-UHFFFAOYSA-N |