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-methylphenyl)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-methylphenyl)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-methylphenyl)acetamide
Compound characteristics
Compound ID: | L681-0242 |
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-methylphenyl)acetamide |
Molecular Weight: | 421.43 |
Molecular Formula: | C22 H20 F N5 O3 |
Smiles: | Cc1ccc(cc1)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1cn(C)n2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8317 |
logD: | 2.8317 |
logSw: | -3.2039 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.863 |
InChI Key: | KKEFKZDXXMRRSI-UHFFFAOYSA-N |