2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | G873-0113 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-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(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6352 |
| logD: | 4.5722 |
| logSw: | -4.7479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.601 |
| InChI Key: | XABQLHJMIPNNOU-UHFFFAOYSA-N |