6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0024 |
| Compound Name: | 6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1-(2-hydroxyethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.175 |
| logD: | 1.1439 |
| logSw: | -2.2162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.278 |
| InChI Key: | MEDDWTBBWKLLNB-UHFFFAOYSA-N |