6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0022 |
| Compound Name: | 6-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9746 |
| logD: | 1.9436 |
| logSw: | -2.6284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.342 |
| InChI Key: | UFAJIFRDDFJHOM-UHFFFAOYSA-N |