2-{[5-(2-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[5-(2-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-0030 |
| Compound Name: | 2-{[5-(2-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C21 H22 N6 O3 S |
| Smiles: | CCOc1ccccc1N1C(c2c(C)n[nH]c2N=C1SCC(NCc1ccco1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 2.4982 |
| logD: | -2.3981 |
| logSw: | -2.5754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.898 |
| InChI Key: | QMROZZPRLLAMRI-UHFFFAOYSA-N |