N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0898 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 529.02 |
| Molecular Formula: | C24 H25 Cl N6 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)n[nH]c2N=C1SCC(Nc1cc(c(cc1OC)OC)[Cl])=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.4114 |
| logD: | -0.8572 |
| logSw: | -4.1141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.605 |
| InChI Key: | AIXWLCHNMQHIQW-UHFFFAOYSA-N |