2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
Chemical Structure Depiction of
2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide
Compound characteristics
| Compound ID: | E961-1135 |
| Compound Name: | 2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-phenylacetamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C23 H22 F N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccccc3)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7579 |
| logD: | 2.7579 |
| logSw: | -2.965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.493 |
| InChI Key: | MFFLOXKNIQHTAL-UHFFFAOYSA-N |