1-(5-chloro-2-methylphenyl)-5-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(5-chloro-2-methylphenyl)-5-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(5-chloro-2-methylphenyl)-5-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L984-0284 |
| Compound Name: | 1-(5-chloro-2-methylphenyl)-5-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C24 H21 Cl N6 O4 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C=Nc3c(cnn3c3cc(ccc3C)[Cl])C2=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.6721 |
| logD: | 4.6721 |
| logSw: | -4.7566 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.172 |
| InChI Key: | UCNTYQXCVIOYTO-UHFFFAOYSA-N |