4-(2-chlorophenyl)-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(2-chlorophenyl)-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-chlorophenyl)-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V011-1747 |
| Compound Name: | 4-(2-chlorophenyl)-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 574 |
| Molecular Formula: | C28 H27 Cl F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(CC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)C(C=2C(c2ccccc2[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7041 |
| logD: | 3.6851 |
| logSw: | -4.1745 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.368 |
| InChI Key: | PZJUVMFFUOTCHG-RUZDIDTESA-N |