N-[(4-chlorophenyl)methyl]-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-[(4-chlorophenyl)methyl]-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | C200-8179 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 455.87 |
| Molecular Formula: | C22 H19 Cl F N5 O3 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(NCc2ccc(cc2)[Cl])=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5807 |
| logD: | 2.5807 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.185 |
| InChI Key: | AKDFPCYZGBJNFC-UHFFFAOYSA-N |