methyl 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
methyl 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
methyl 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: | L681-0307 |
| Compound Name: | methyl 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: | 465.44 |
| Molecular Formula: | C23 H20 F N5 O5 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2ccc(cc2)C(=O)OC)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.499 |
| logD: | 2.4989 |
| logSw: | -2.7777 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.036 |
| InChI Key: | YBDRHGMLKVDAGX-UHFFFAOYSA-N |