N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K784-1891 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 513.02 |
| Molecular Formula: | C24 H25 Cl N6 O3 S |
| Smiles: | CCc1ccccc1N1C(c2c(N=C1SCC(Nc1cc(c(cc1OC)OC)[Cl])=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 4.2162 |
| logD: | -0.4264 |
| logSw: | -4.6776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.18 |
| InChI Key: | GVFCORIFIKRWGO-UHFFFAOYSA-N |