5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0162 |
| Compound Name: | 5-(4-bromophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 447.74 |
| Molecular Formula: | C18 H12 Br Cl N4 O S |
| Smiles: | C(c1ccccc1[Cl])SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7003 |
| logD: | 4.6988 |
| logSw: | -4.8431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | UWIFNAVSLBBICM-UHFFFAOYSA-N |