N-cyclohexyl-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}-3-phenylpropanamide
Chemical Structure Depiction of
N-cyclohexyl-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}-3-phenylpropanamide
N-cyclohexyl-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}-3-phenylpropanamide
Compound characteristics
| Compound ID: | V018-4455 |
| Compound Name: | N-cyclohexyl-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}-3-phenylpropanamide |
| Molecular Weight: | 566.62 |
| Molecular Formula: | C31 H33 F3 N4 O3 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NC3CCCCC3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5828 |
| logD: | 5.4944 |
| logSw: | -5.6684 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.945 |
| InChI Key: | FAXYYQGOUHWXJG-UHFFFAOYSA-N |