6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-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-oxoethyl]-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-oxoethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V027-0170 |
| Compound Name: | 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-ethyl-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 493.48 |
| Molecular Formula: | C23 H26 F3 N5 O4 |
| Smiles: | CCN1C2CN(CC(N3CCN(CC3)C(C)=O)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0006 |
| logD: | 0.9261 |
| logSw: | -2.3056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.049 |
| InChI Key: | HCLCUXHFPMLAHE-HXUWFJFHSA-N |