2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-fluorophenyl)-2-phenylacetamide
Chemical Structure Depiction of
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-fluorophenyl)-2-phenylacetamide
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-fluorophenyl)-2-phenylacetamide
Compound characteristics
| Compound ID: | V022-7703 |
| Compound Name: | 2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-fluorophenyl)-2-phenylacetamide |
| Molecular Weight: | 564.54 |
| Molecular Formula: | C30 H24 F4 N4 O3 |
| Smiles: | C=CCN1C2CN(C(C(Nc3ccc(cc3)F)=O)c3ccccc3)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2241 |
| logD: | 5.1357 |
| logSw: | -5.2907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.933 |
| InChI Key: | AOKXRZUWAZKPDO-UHFFFAOYSA-N |