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-methyl-N,N-dipropylpentanamide
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}-4-methyl-N,N-dipropylpentanamide
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-methyl-N,N-dipropylpentanamide
Compound characteristics
| Compound ID: | V011-1652 |
| 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}-4-methyl-N,N-dipropylpentanamide |
| Molecular Weight: | 522.61 |
| Molecular Formula: | C27 H37 F3 N4 O3 |
| Smiles: | CCCN(CCC)C(C(CC(C)C)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9335 |
| logD: | 4.859 |
| logSw: | -4.4999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.263 |
| InChI Key: | SRRRCFKFOHLNHB-UHFFFAOYSA-N |