2-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0528 |
| Compound Name: | 2-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 549.93 |
| Molecular Formula: | C26 H23 Cl F3 N3 O5 |
| Smiles: | [H]OC1(CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)c1ccc(c(c1)C(F)(F)F)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6745 |
| logD: | 4.6745 |
| logSw: | -4.6687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.138 |
| InChI Key: | XCXCQIIAHLTAPD-UHFFFAOYSA-N |