N-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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: | C200-8176 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-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: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1cn(C)n2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1321 |
| logD: | 3.1319 |
| logSw: | -3.2733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.165 |
| InChI Key: | CGLVAJKAYZVZFG-UHFFFAOYSA-N |