5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluorophenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluorophenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluorophenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C374-2265 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluorophenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C26 H19 F N4 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(N(C(c1ccccc1F)=N2)c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0737 |
| logD: | 4.0515 |
| logSw: | -4.1426 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.512 |
| InChI Key: | NIYRHDPCDRIKNM-UHFFFAOYSA-N |