6-{[2-(4-benzylpiperidin-1-yl)-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-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0295 |
| Compound Name: | 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.471 |
| logD: | 5.408 |
| logSw: | -5.348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.573 |
| InChI Key: | BROOSWBFJUMLCD-UHFFFAOYSA-N |