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}-3-methyl-N-[(pyridin-3-yl)methyl]butanamide
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}-3-methyl-N-[(pyridin-3-yl)methyl]butanamide
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}-3-methyl-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V004-1612 |
| 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}-3-methyl-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 527.55 |
| Molecular Formula: | C27 H28 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(C(NCc1cccnc1)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9148 |
| logD: | 2.8239 |
| logSw: | -3.2288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.044 |
| InChI Key: | QEDAGFOVGOKUEE-UHFFFAOYSA-N |