N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-6513 |
| Compound Name: | N-(4-bromophenyl)-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.83 |
| Molecular Formula: | C21 H18 Br Cl N6 O S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(Nc1ccc(cc1)[Br])=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 5.3268 |
| logD: | 0.3931 |
| logSw: | -6.2415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.918 |
| InChI Key: | AKYWAWLGZDAZSR-UHFFFAOYSA-N |