2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L681-0305 |
| 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-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(NCc2cccc(c2)OC)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0833 |
| logD: | 2.0833 |
| logSw: | -2.7182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.728 |
| InChI Key: | YLLAVCLAYSYRBL-UHFFFAOYSA-N |