ethyl 4-(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}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(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}acetamido)benzoate
ethyl 4-(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}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-6091 |
| Compound Name: | ethyl 4-(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}acetamido)benzoate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C26 H26 F N5 O5 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccc(cc3)C(=O)OCC)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5511 |
| logD: | 3.551 |
| logSw: | -3.5549 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.246 |
| InChI Key: | CQHWOBKOQGRHGD-UHFFFAOYSA-N |