2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(2-methoxy-5-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-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L681-0313 |
| 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-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Smiles: | Cc1ccc(c(c1)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1cn(C)n2)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2452 |
| logD: | 2.2452 |
| logSw: | -2.8204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.795 |
| InChI Key: | KPQVFEPSQPSQOK-UHFFFAOYSA-N |