2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)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-ethyl-N-(3-methylphenyl)acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K781-6524 |
| 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-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 481.02 |
| Molecular Formula: | C24 H25 Cl N6 O S |
| Smiles: | CCN(C(CSC1=Nc2c(C(=N)N1c1ccc(c(C)c1)[Cl])c(C)[nH]n2)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4224 |
| logD: | 0.4887 |
| logSw: | -6.185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.86 |
| InChI Key: | VCMAFJDTWPDTLA-UHFFFAOYSA-N |