1-(4-chlorophenyl)-6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-chlorophenyl)-6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0132 |
| Compound Name: | 1-(4-chlorophenyl)-6-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 437.91 |
| Molecular Formula: | C21 H16 Cl N5 O2 S |
| Smiles: | C1CN(C(CSC2NC(c3cnn(c4ccc(cc4)[Cl])c3N=2)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8036 |
| logD: | 3.7406 |
| logSw: | -4.5639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.875 |
| InChI Key: | NXYJDFVYHXMYEG-UHFFFAOYSA-N |