2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K643-0614 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 503.97 |
| Molecular Formula: | C25 H18 Cl N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)Oc1ccccc1)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8904 |
| logD: | 4.8892 |
| logSw: | -5.1259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.324 |
| InChI Key: | ZPDKNXWVQONSJB-UHFFFAOYSA-N |