6-[2-(4-acetylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[2-(4-acetylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[2-(4-acetylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-5050 |
| Compound Name: | 6-[2-(4-acetylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 569.58 |
| Molecular Formula: | C29 H30 F3 N5 O4 |
| Smiles: | CCN1C2CN(C(C(N3CCN(CC3)C(C)=O)=O)c3ccccc3)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9543 |
| logD: | 2.8798 |
| logSw: | -3.3771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.432 |
| InChI Key: | MTWBLJPCYDSMRK-UHFFFAOYSA-N |