N-(3-chloro-4-methylphenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-6139 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C22 H20 Cl2 N6 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2c(C(=N)N1c1ccc(c(C)c1)[Cl])c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8831 |
| logD: | 0.9494 |
| logSw: | -6.3257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | UJIOYWMIIVERRH-UHFFFAOYSA-N |