N-(4-chloro-3-methylphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-3-methylphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-chloro-3-methylphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K784-1890 |
| Compound Name: | N-(4-chloro-3-methylphenyl)-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])NC(CSC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3302 |
| logD: | 0.0616 |
| logSw: | -4.771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.462 |
| InChI Key: | SKZMEBDYZBVTFE-UHFFFAOYSA-N |