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-(2-methoxyethyl)propanamide
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-(2-methoxyethyl)propanamide
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-(2-methoxyethyl)propanamide
Compound characteristics
| Compound ID: | V028-0776 |
| 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-(2-methoxyethyl)propanamide |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C22 H25 F3 N4 O4 |
| Smiles: | CC(C(NCCOC)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8831 |
| logD: | 1.7947 |
| logSw: | -2.8151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.362 |
| InChI Key: | SNAVZWUQEVYMNK-UHFFFAOYSA-N |