N-tert-butyl-2-{1-ethyl-2,5-dioxo-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-tert-butyl-2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide
N-tert-butyl-2-{1-ethyl-2,5-dioxo-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: | V004-2893 |
| Compound Name: | N-tert-butyl-2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-3-phenylpropanamide |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C28 H31 F3 N4 O3 |
| Smiles: | CCN1C2CN(C(Cc3ccccc3)C(NC(C)(C)C)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9141 |
| logD: | 4.8397 |
| logSw: | -4.5833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.061 |
| InChI Key: | QTRQFPJOZACQLM-UHFFFAOYSA-N |