2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-2-phenylacetamide
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-2-phenylacetamide
2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-2-phenylacetamide
Compound characteristics
| Compound ID: | V004-5097 |
| Compound Name: | 2-[4-(4-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]-2-phenylacetamide |
| Molecular Weight: | 504.97 |
| Molecular Formula: | C27 H25 Cl N4 O4 |
| Smiles: | CCN1C2CN(C(C(NCc3ccco3)=O)c3ccccc3)C(C=2C(c2ccc(cc2)[Cl])NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8754 |
| logD: | 3.8349 |
| logSw: | -4.6112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.75 |
| InChI Key: | JHCUFINCUMDLRM-UHFFFAOYSA-N |