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}-N-[(pyridin-3-yl)methyl]propanamide
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}-N-[(pyridin-3-yl)methyl]propanamide
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}-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V001-0935 |
| 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}-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 487.48 |
| Molecular Formula: | C24 H24 F3 N5 O3 |
| Smiles: | CCN1C2CN(C(C)C(NCc3cccnc3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7366 |
| logD: | 1.6597 |
| logSw: | -2.0451 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.171 |
| InChI Key: | KAHVJLTWCKYWBQ-UHFFFAOYSA-N |