2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | V003-5008 |
| Compound Name: | 2-{1-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 526.44 |
| Molecular Formula: | C24 H20 F6 N4 O3 |
| Smiles: | CN1C2CN(CC(NCc3cccc(c3)C(F)(F)F)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2091 |
| logD: | 3.0262 |
| logSw: | -3.771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.974 |
| InChI Key: | UMTFJDBQGQRYTK-HXUWFJFHSA-N |