2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K781-6153 |
| Compound Name: | 2-{[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(=N)N1c1cccc(c1C)[Cl])c(C)[nH]n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5953 |
| logD: | 0.5308 |
| logSw: | -4.7734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.741 |
| InChI Key: | BTXADPSBNFRQSK-UHFFFAOYSA-N |