2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-3-phenylpropanamide
Chemical Structure Depiction of
2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-3-phenylpropanamide
2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V025-4993 |
| Compound Name: | 2-[4-(2,4-dimethylphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-3-phenylpropanamide |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C30 H29 F N4 O3 |
| Smiles: | Cc1ccc(C2C3=C(CN(C(Cc4ccccc4)C(Nc4ccc(cc4)F)=O)C3=O)N(C)C(N2)=O)c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9284 |
| logD: | 4.7455 |
| logSw: | -4.616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.685 |
| InChI Key: | SJQOOPKFZPEPJO-UHFFFAOYSA-N |