N-benzyl-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}-4-methylpentanamide
Chemical Structure Depiction of
N-benzyl-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}-4-methylpentanamide
N-benzyl-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}-4-methylpentanamide
Compound characteristics
| Compound ID: | V004-2821 |
| Compound Name: | N-benzyl-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}-4-methylpentanamide |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C28 H31 F3 N4 O3 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCc3ccccc3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4174 |
| logD: | 4.3429 |
| logSw: | -4.3234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.237 |
| InChI Key: | WLEUREXMBJDGDE-UHFFFAOYSA-N |