6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0038 |
| Compound Name: | 6-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | C1CCCN(CC1)C(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.747 |
| logD: | 2.684 |
| logSw: | -3.4645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.175 |
| InChI Key: | UFVSSYCJATWEHU-UHFFFAOYSA-N |