1-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0094 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 431.3 |
| Molecular Formula: | C19 H12 Cl2 N4 O2 S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4264 |
| logD: | 4.3807 |
| logSw: | -4.7838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | PEQMKZFMVHUORC-UHFFFAOYSA-N |