2-(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0482 |
| Compound Name: | 2-(4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 515.49 |
| Molecular Formula: | C26 H24 F3 N3 O5 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCC(CC1)(c1cccc(c1)C(F)(F)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9064 |
| logD: | 3.9064 |
| logSw: | -4.2395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.138 |
| InChI Key: | HQOYZROWBBZNGO-UHFFFAOYSA-N |