N-(2-chloro-4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | C200-8175 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-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: | 459.84 |
| Molecular Formula: | C21 H16 Cl F2 N5 O3 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2ccc(cc2[Cl])F)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8414 |
| logD: | 2.833 |
| logSw: | -3.3805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.165 |
| InChI Key: | VOUPVTAUSUSNDO-UHFFFAOYSA-N |