ethyl 1-({1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-({1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetyl)piperidine-3-carboxylate
ethyl 1-({1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V004-7248 |
| Compound Name: | ethyl 1-({1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetyl)piperidine-3-carboxylate |
| Molecular Weight: | 508.5 |
| Molecular Formula: | C24 H27 F3 N4 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(CN1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2C)=O)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7619 |
| logD: | 1.5791 |
| logSw: | -2.6455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.582 |
| InChI Key: | AOEOELKRJDOQQS-UHFFFAOYSA-N |