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-[(pyridin-3-yl)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-[(pyridin-3-yl)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-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V018-2510 |
| 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-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 459.43 |
| Molecular Formula: | C22 H20 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CN1C2CN(CC(NCc3cccnc3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1826 |
| logD: | 0.9974 |
| logSw: | -1.7241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.492 |
| InChI Key: | BZVJHMXISWGVJW-LJQANCHMSA-N |