6-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L944-0004 |
| Compound Name: | 6-({[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C21 H16 N6 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc(CSC2=Nc3c(cn[nH]3)C(N2c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0562 |
| logD: | 4.0542 |
| logSw: | -4.0782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.769 |
| InChI Key: | DCTKVALOYXZFGP-UHFFFAOYSA-N |