2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0176 |
| Compound Name: | 2-{[4-imino-3-methyl-5-(2-methylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1ccccc1C)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5951 |
| logD: | -0.7466 |
| logSw: | -4.0135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.617 |
| InChI Key: | MUGQTVNTKQKREC-UHFFFAOYSA-N |