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-[(oxolan-2-yl)methyl]acetamide
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-[(oxolan-2-yl)methyl]acetamide
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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V001-3487 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C22 H25 F3 N4 O4 |
| Smiles: | CCN1C2CN(CC(NCC3CCCO3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4423 |
| logD: | 1.3679 |
| logSw: | -2.4009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.587 |
| InChI Key: | KSSAQSWGDVAVAV-UHFFFAOYSA-N |