2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | K784-2210 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1=Nc2c(c[nH]n2)C(N1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3197 |
| logD: | 4.3197 |
| logSw: | -4.4305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | XPJSRNFHKDPQGR-UHFFFAOYSA-N |