N-[2-(dimethylamino)ethyl]-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-methylbutanamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-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-methylbutanamide
N-[2-(dimethylamino)ethyl]-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-methylbutanamide
Compound characteristics
| Compound ID: | V008-5656 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-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-methylbutanamide |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C25 H32 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(C(NCCN(C)C)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7183 |
| logD: | 1.3018 |
| logSw: | -3.3508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.505 |
| InChI Key: | LDDHZNPJEQLEIZ-UHFFFAOYSA-N |