2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V022-7744 |
| Compound Name: | 2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-phenyl-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 561.56 |
| Molecular Formula: | C30 H26 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(C(C(NCc3ccccn3)=O)c3ccccc3)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7583 |
| logD: | 3.669 |
| logSw: | -4.1374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.798 |
| InChI Key: | HXKUXGWFHILNTR-UHFFFAOYSA-N |