3-{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-ethyl-N-methylpropanamide
Chemical Structure Depiction of
3-{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-ethyl-N-methylpropanamide
3-{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-ethyl-N-methylpropanamide
Compound characteristics
| Compound ID: | V004-1670 |
| Compound Name: | 3-{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-ethyl-N-methylpropanamide |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C22 H25 F3 N4 O3 |
| Smiles: | CCN(C)C(CCN1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1292 |
| logD: | 2.0408 |
| logSw: | -2.9373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.584 |
| InChI Key: | BDEKCQITSGGAMI-LJQANCHMSA-N |