2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
Chemical Structure Depiction of
2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | V001-0924 |
| Compound Name: | 2-[4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C25 H27 F N4 O3 |
| Smiles: | CCN1C2CN(C(C)C(Nc3ccc(cc3)F)=O)C(C=2C(c2ccc(C)cc2C)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.69 |
| logD: | 3.6156 |
| logSw: | -3.7365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.331 |
| InChI Key: | BRCFTEKOWUCTGB-UHFFFAOYSA-N |