N-benzyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0485 |
| Compound Name: | N-benzyl-2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C22 H21 Cl N6 O S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC(NCc1ccccc1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.8004 |
| logD: | -1.1333 |
| logSw: | -4.4538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.24 |
| InChI Key: | AQANCTHZYWEMNP-UHFFFAOYSA-N |