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-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2-phenylacetamide
Compound characteristics
| Compound ID: | V002-9863 |
| 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-methoxyphenyl)-2-phenylacetamide |
| Molecular Weight: | 576.58 |
| Molecular Formula: | C31 H27 F3 N4 O4 |
| Smiles: | COc1ccc(cc1)NC(C(c1ccccc1)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1774 |
| logD: | 5.089 |
| logSw: | -4.9948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.477 |
| InChI Key: | LYETVLYHMYMSHU-UHFFFAOYSA-N |