3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]propanamide
3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V028-7426 |
| Compound Name: | 3-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-[(furan-2-yl)methyl]propanamide |
| Molecular Weight: | 476.45 |
| Molecular Formula: | C23 H23 F3 N4 O4 |
| Smiles: | CCN1C2CN(CCC(NCc3ccco3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7581 |
| logD: | 2.6836 |
| logSw: | -3.282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.66 |
| InChI Key: | ICSQOXLAIALEOL-HXUWFJFHSA-N |