N-(2-chloro-4-fluorophenyl)-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}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-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}acetamide
N-(2-chloro-4-fluorophenyl)-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}acetamide
Compound characteristics
| Compound ID: | E961-1169 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-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}acetamide |
| Molecular Weight: | 487.89 |
| Molecular Formula: | C23 H20 Cl F2 N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccc(cc3[Cl])F)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3828 |
| logD: | 3.3744 |
| logSw: | -3.5575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.795 |
| InChI Key: | FXPPKBSBCITZEG-UHFFFAOYSA-N |