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-[(furan-2-yl)methyl]-3-methylbutanamide
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-[(furan-2-yl)methyl]-3-methylbutanamide
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-[(furan-2-yl)methyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V004-1600 |
| 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-[(furan-2-yl)methyl]-3-methylbutanamide |
| Molecular Weight: | 516.52 |
| Molecular Formula: | C26 H27 F3 N4 O4 |
| Smiles: | CC(C)C(C(NCc1ccco1)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8932 |
| logD: | 3.8047 |
| logSw: | -4.0169 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.275 |
| InChI Key: | ZNVHEUJEVFKYTA-UHFFFAOYSA-N |