3-methyl-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-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
3-methyl-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-[(oxolan-2-yl)methyl]butanamide
3-methyl-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-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | V001-0888 |
| Compound Name: | 3-methyl-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-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C24 H29 F3 N4 O4 |
| Smiles: | CC(C)C(C(NCC1CCCO1)=O)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2559 |
| logD: | 2.073 |
| logSw: | -2.9546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.968 |
| InChI Key: | ZWSVCBVJXORHCH-UHFFFAOYSA-N |