6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0259 |
| Compound Name: | 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9592 |
| logD: | 4.9134 |
| logSw: | -4.9953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | QBDHPKZQXHUTDV-UHFFFAOYSA-N |