2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C365-0151 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 514.31 |
| Molecular Formula: | C20 H12 Cl2 F3 N5 O2 S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)SC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9294 |
| logD: | 4.8665 |
| logSw: | -5.1136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.903 |
| InChI Key: | VJVYXNBYIQDWCI-UHFFFAOYSA-N |