ethyl 4-(2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate
ethyl 4-(2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | L681-0246 |
| Compound Name: | ethyl 4-(2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C24 H22 F N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1cn(C)n2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0097 |
| logD: | 3.0096 |
| logSw: | -3.2633 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.616 |
| InChI Key: | NCVTWIROFHYFPF-UHFFFAOYSA-N |