2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | K781-6140 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C23 H23 Cl N6 O S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2c(C(=N)N1c1ccc(c(C)c1)[Cl])c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4804 |
| logD: | 0.5467 |
| logSw: | -6.2668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | MMIUEDQDFGBLCX-UHFFFAOYSA-N |