2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C365-0314 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6692 |
| logD: | 3.6062 |
| logSw: | -3.6927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.672 |
| InChI Key: | GIQAAWCDSUDTOT-UHFFFAOYSA-N |