N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-4-(2,3-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-4-(2,3-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-4-(2,3-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V029-0441 |
| Compound Name: | N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-benzyl-4-(2,3-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C26 H20 F2 N6 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1nc(c2cccc(c2F)F)c2c(n1)nn(Cc1ccccc1)c2N |
| Stereo: | ACHIRAL |
| logP: | 4.8325 |
| logD: | 4.8325 |
| logSw: | -5.0759 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.79 |
| InChI Key: | SBSPVUQUWUDUDD-UHFFFAOYSA-N |