2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L681-0315 |
| Compound Name: | 2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 475.4 |
| Molecular Formula: | C22 H17 F4 N5 O3 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2ccc(cc2)C(F)(F)F)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.281 |
| logD: | 3.281 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.863 |
| InChI Key: | UBVGHIYJBDYTFK-UHFFFAOYSA-N |