1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0093 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 413.84 |
| Molecular Formula: | C18 H12 Cl N5 O3 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9547 |
| logD: | 3.9159 |
| logSw: | -4.5688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.833 |
| InChI Key: | XPURPWCBFKTLIF-UHFFFAOYSA-N |