6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0292 |
| Compound Name: | 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(3,4-dimethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C21 H25 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.996 |
| logD: | 3.9331 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.175 |
| InChI Key: | OUXRZBWQIOMZGX-UHFFFAOYSA-N |