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-methyl-N-[(oxolan-2-yl)methyl]butanamide
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-methyl-N-[(oxolan-2-yl)methyl]butanamide
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-methyl-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V004-2273 |
| 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-methyl-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 508.54 |
| Molecular Formula: | C25 H31 F3 N4 O4 |
| Smiles: | CCN1C2CN(C(C(C)C)C(NCC3CCCO3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8323 |
| logD: | 2.7579 |
| logSw: | -3.3707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.927 |
| InChI Key: | LDOVBLFTMNBXCK-UHFFFAOYSA-N |