5-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L984-0099 |
| Compound Name: | 5-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 436.83 |
| Molecular Formula: | C21 H14 Cl F N6 O2 |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(N(Cc1nc(c3ccc(c(c3)F)[Cl])no1)C=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7697 |
| logD: | 4.7697 |
| logSw: | -4.8377 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.632 |
| InChI Key: | JMOUSKGJQMXJDW-UHFFFAOYSA-N |