1-(3,4-dimethylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(3,4-dimethylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0289 |
| Compound Name: | 1-(3,4-dimethylphenyl)-6-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2812 |
| logD: | 3.2182 |
| logSw: | -3.4214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.21 |
| InChI Key: | HFNKWCKNTHMCGA-UHFFFAOYSA-N |