2-{[4-imino-3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-imino-3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K898-1049 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(Nc1cccc(C)c1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.527 |
| logD: | -0.7416 |
| logSw: | -3.8852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | VSABRJRUGVDSFO-UHFFFAOYSA-N |