1-(2-hydroxyethyl)-6-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(2-hydroxyethyl)-6-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-hydroxyethyl)-6-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F248-0084 |
| Compound Name: | 1-(2-hydroxyethyl)-6-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C23 H22 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.06 |
| logD: | 3.0289 |
| logSw: | -3.232 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.86 |
| InChI Key: | POEFQGCICGKVEP-GOSISDBHSA-N |