2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L681-0210 |
| 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-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C24 H24 F N5 O3 |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(C)cc3)C(N2CC(NCc2ccc(cc2)F)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8166 |
| logD: | 2.8166 |
| logSw: | -3.0147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.878 |
| InChI Key: | JKADYHQLJJNCEB-UHFFFAOYSA-N |