1-(3,4-dimethylphenyl)-6-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-6-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-6-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0287 |
| Compound Name: | 1-(3,4-dimethylphenyl)-6-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | CC1CCN(CC1)C(CSC1NC(c2cnn(c3ccc(C)c(C)c3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8305 |
| logD: | 3.7675 |
| logSw: | -3.6789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.844 |
| InChI Key: | HQSYSLOIHPZNLH-UHFFFAOYSA-N |