2-{[2-methyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-methyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[2-methyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G020-0467 |
| Compound Name: | 2-{[2-methyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C19 H20 F3 N5 O2 S |
| Smiles: | CC(C)CN1C(=Nc2cn(C)nc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9023 |
| logD: | 2.9023 |
| logSw: | -3.5992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.94 |
| InChI Key: | MMNVDRVMYBNLCI-UHFFFAOYSA-N |