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-[(4-fluorophenyl)methyl]-4-methylpentanamide
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-[(4-fluorophenyl)methyl]-4-methylpentanamide
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-[(4-fluorophenyl)methyl]-4-methylpentanamide
Compound characteristics
| Compound ID: | V004-3355 |
| 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-[(4-fluorophenyl)methyl]-4-methylpentanamide |
| Molecular Weight: | 546.56 |
| Molecular Formula: | C28 H30 F4 N4 O3 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCc3ccc(cc3)F)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4464 |
| logD: | 4.372 |
| logSw: | -4.3038 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.237 |
| InChI Key: | QXOWOVVPGVFQNB-UHFFFAOYSA-N |