2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | V027-6751 |
| Compound Name: | 2-[4-(3-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C23 H20 Cl F N4 O3 |
| Smiles: | C=CCN1C2CN(CC(Nc3ccc(cc3)F)=O)C(C=2C(c2cccc(c2)[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3735 |
| logD: | 3.3545 |
| logSw: | -3.7939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | VEMYMWUVPYQHHG-OAQYLSRUSA-N |