N-(4-acetamidophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K643-0627 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.92 |
| Molecular Formula: | C21 H17 Cl N6 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4015 |
| logD: | 2.4003 |
| logSw: | -3.3546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.838 |
| InChI Key: | GSYCRZYMIPDPCG-UHFFFAOYSA-N |