2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
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-cyclohexylacetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | K781-6522 |
| 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-cyclohexylacetamide |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C21 H25 Cl N6 O S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(NC1CCCCC1)=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 4.3889 |
| logD: | -0.5448 |
| logSw: | -4.764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.965 |
| InChI Key: | PWKPXMJPHZFQSJ-UHFFFAOYSA-N |