N-[2-(dimethylamino)ethyl]-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-phenylpropanamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-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-phenylpropanamide
N-[2-(dimethylamino)ethyl]-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-phenylpropanamide
Compound characteristics
| Compound ID: | V003-9135 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-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-phenylpropanamide |
| Molecular Weight: | 543.59 |
| Molecular Formula: | C28 H32 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NCCN(C)C)=O)C(C=2C(c2ccc(cc2)C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3472 |
| logD: | 1.9306 |
| logSw: | -3.4255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.944 |
| InChI Key: | NJCLYYFHJPNUOL-UHFFFAOYSA-N |