N-cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide
Chemical Structure Depiction of
N-cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide
N-cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide
Compound characteristics
| Compound ID: | V011-1770 |
| Compound Name: | N-cyclohexyl-2-{1-ethyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-methylbutanamide |
| Molecular Weight: | 506.57 |
| Molecular Formula: | C26 H33 F3 N4 O3 |
| Smiles: | CCN1C2CN(C(C(C)C)C(NC3CCCCC3)=O)C(C=2C(c2ccc(cc2)C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4444 |
| logD: | 4.4286 |
| logSw: | -4.1503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.998 |
| InChI Key: | LIWODUZUOJTWBA-UHFFFAOYSA-N |