N-benzyl-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-benzyl-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-benzyl-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: | V018-4478 |
| Compound Name: | N-benzyl-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: | 574.6 |
| Molecular Formula: | C32 H29 F3 N4 O3 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NCc3ccccc3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0367 |
| logD: | 4.9483 |
| logSw: | -4.8602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.219 |
| InChI Key: | YCDUGOYLRSWFHZ-UHFFFAOYSA-N |