2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-0505 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(Nc1ccccc1OC)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.8722 |
| logD: | -1.0615 |
| logSw: | -4.4213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.851 |
| InChI Key: | FBOQIGDGYQCEDV-UHFFFAOYSA-N |