2-{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-(4-methoxyphenyl)-3-phenylpropanamide
Chemical Structure Depiction of
2-{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-(4-methoxyphenyl)-3-phenylpropanamide
2-{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-(4-methoxyphenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V004-4730 |
| Compound Name: | 2-{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-(4-methoxyphenyl)-3-phenylpropanamide |
| Molecular Weight: | 578.59 |
| Molecular Formula: | C31 H29 F3 N4 O4 |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(Nc3ccc(cc3)OC)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2325 |
| logD: | 5.1581 |
| logSw: | -5.0734 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.187 |
| InChI Key: | GFYROEDXRJPUQC-UHFFFAOYSA-N |