2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | C082-0027 |
| Compound Name: | 2-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C22 H22 F3 N3 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8094 |
| logD: | 1.8094 |
| logSw: | -2.1836 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.989 |
| InChI Key: | FGAMMKHVCKMETF-UHFFFAOYSA-N |