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}-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
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}-N-(4-phenylbutan-2-yl)acetamide
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}-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | E961-1141 |
| Compound Name: | 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}-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C27 H30 F N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(NC(C)CCc3ccccc3)=O)c2c(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4784 |
| logD: | 3.4784 |
| logSw: | -3.6821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.256 |
| InChI Key: | KSYGHOHEKODJDW-SFHVURJKSA-N |