6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0221 |
| Compound Name: | 6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-5-phenyl-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(c(c1)[Cl])[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1304 |
| logD: | 4.1277 |
| logSw: | -4.5234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | ABRDWLBAPZXIDH-UHFFFAOYSA-N |