N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C365-0229 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCC(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9651 |
| logD: | 2.9021 |
| logSw: | -3.4086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.672 |
| InChI Key: | PTPRCCNSAQSEFN-UHFFFAOYSA-N |