2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-phenoxyphenyl)propanamide
Chemical Structure Depiction of
2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-phenoxyphenyl)propanamide
2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-phenoxyphenyl)propanamide
Compound characteristics
| Compound ID: | V004-3309 |
| Compound Name: | 2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-phenoxyphenyl)propanamide |
| Molecular Weight: | 565.46 |
| Molecular Formula: | C29 H26 Cl2 N4 O4 |
| Smiles: | CCN1C2CN(C(C)C(Nc3ccc(cc3)Oc3ccccc3)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6984 |
| logD: | 5.6579 |
| logSw: | -5.87 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.078 |
| InChI Key: | KTHKLPQGRIKWLE-UHFFFAOYSA-N |