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}-3-phenyl-N-[2-(pyridin-2-yl)ethyl]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}-3-phenyl-N-[2-(pyridin-2-yl)ethyl]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}-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V004-4800 |
| 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}-3-phenyl-N-[2-(pyridin-2-yl)ethyl]propanamide |
| Molecular Weight: | 577.61 |
| Molecular Formula: | C31 H30 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NCCc3ccccn3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1163 |
| logD: | 4.037 |
| logSw: | -4.241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.35 |
| InChI Key: | AJKCMLUHRBFZDI-UHFFFAOYSA-N |