2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | K781-0566 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C22 H18 Cl N5 O2 S |
| Smiles: | C=CCN(C(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7208 |
| logD: | 3.7194 |
| logSw: | -4.4031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.772 |
| InChI Key: | QCQXXFJUWQEZDI-UHFFFAOYSA-N |