5-(3-chloro-2-methylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3-chloro-2-methylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-2-methylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0458 |
| Compound Name: | 5-(3-chloro-2-methylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C18 H18 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7584 |
| logD: | 2.7539 |
| logSw: | -3.5905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.884 |
| InChI Key: | OUXAJZKYCSBQON-UHFFFAOYSA-N |