6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0207 |
| Compound Name: | 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2919 |
| logD: | 3.229 |
| logSw: | -3.4729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.175 |
| InChI Key: | MAYUFRNAGOXDON-UHFFFAOYSA-N |