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}-N-(3-methoxypropyl)-4-methylpentanamide
Chemical Structure Depiction of
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}-N-(3-methoxypropyl)-4-methylpentanamide
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}-N-(3-methoxypropyl)-4-methylpentanamide
Compound characteristics
| Compound ID: | V004-4754 |
| Compound Name: | 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}-N-(3-methoxypropyl)-4-methylpentanamide |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C25 H33 F3 N4 O4 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCCCOC)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3497 |
| logD: | 3.2753 |
| logSw: | -3.6861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.693 |
| InChI Key: | JKGWKUMXVNDDPU-UHFFFAOYSA-N |