N-[2-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-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: | E961-1161 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 497.96 |
| Molecular Formula: | C25 H25 Cl F N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(NCCc3ccc(cc3)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8969 |
| logD: | 2.8969 |
| logSw: | -3.4915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.656 |
| InChI Key: | VEQDOQYXALUPET-UHFFFAOYSA-N |