5-(2,4-dichlorophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2,4-dichlorophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2,4-dichlorophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K643-0103 |
| Compound Name: | 5-(2,4-dichlorophenyl)-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 500.19 |
| Molecular Formula: | C19 H10 Cl4 N4 O2 S |
| Smiles: | C(C(c1ccc(c(c1)[Cl])[Cl])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4838 |
| logD: | 5.4818 |
| logSw: | -6.0265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.372 |
| InChI Key: | YEDWEPCCTNTLQQ-UHFFFAOYSA-N |