5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[4-(propan-2-yl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[4-(propan-2-yl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[4-(propan-2-yl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L984-0336 |
| Compound Name: | 5-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-[4-(propan-2-yl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 446.89 |
| Molecular Formula: | C23 H19 Cl N6 O2 |
| Smiles: | CC(C)c1ccc(cc1)n1c2c(cn1)C(N(Cc1nc(c3ccc(cc3)[Cl])no1)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5537 |
| logD: | 5.5537 |
| logSw: | -6.0716 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.632 |
| InChI Key: | BOBAUAHAZSDVLS-UHFFFAOYSA-N |