N-benzyl-2-{[5-(2-ethylphenyl)-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-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1409 |
| Compound Name: | N-benzyl-2-{[5-(2-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | CCc1ccccc1N1C(c2c(C)n[nH]c2N=C1SCC(NCc1ccccc1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 3.2249 |
| logD: | -1.4178 |
| logSw: | -3.5161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.939 |
| InChI Key: | NXXMSWGKHWCPPO-UHFFFAOYSA-N |