2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(pyridin-2-yl)ethyl]pentanamide
Chemical Structure Depiction of
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(pyridin-2-yl)ethyl]pentanamide
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(pyridin-2-yl)ethyl]pentanamide
Compound characteristics
| Compound ID: | V013-8433 |
| Compound Name: | 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[2-(pyridin-2-yl)ethyl]pentanamide |
| Molecular Weight: | 543.59 |
| Molecular Formula: | C28 H32 F3 N5 O3 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCCc3ccccn3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6829 |
| logD: | 3.6036 |
| logSw: | -3.9366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.622 |
| InChI Key: | GXSZCBFDXKCADW-UHFFFAOYSA-N |