4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Chemical Structure Depiction of
4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide
Compound characteristics
| Compound ID: | G873-0143 |
| Compound Name: | 4-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzamide |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C20 H15 Cl N6 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)C(N)=O)=O)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3503 |
| logD: | 2.2874 |
| logSw: | -3.5394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.66 |
| InChI Key: | BWFHAMVVHRZFAZ-UHFFFAOYSA-N |