1-(4-chlorophenyl)-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0133 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C22 H18 Cl N5 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1385 |
| logD: | 4.0756 |
| logSw: | -4.6676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.509 |
| InChI Key: | SMRHLNJJUWZCFN-UHFFFAOYSA-N |