N-(4-acetylphenyl)-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0132 |
| Compound Name: | N-(4-acetylphenyl)-2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.91 |
| Molecular Formula: | C21 H16 Cl N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2466 |
| logD: | 3.1836 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.428 |
| InChI Key: | JPTQKFXJCCMIPR-UHFFFAOYSA-N |