2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L681-0168 |
| Compound Name: | 2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 485.46 |
| Molecular Formula: | C24 H22 F3 N5 O3 |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(C)cc3)C(N2CC(Nc2ccccc2C(F)(F)F)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7254 |
| logD: | 3.7254 |
| logSw: | -3.9083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.857 |
| InChI Key: | WMMBKOVOKGWBPP-UHFFFAOYSA-N |