2-{4-[1-(4-bromophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[1-(4-bromophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{4-[1-(4-bromophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0624 |
| Compound Name: | 2-{4-[1-(4-bromophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 580.48 |
| Molecular Formula: | C29 H30 Br N3 O5 |
| Smiles: | C1CCC2(CCN(C(C2C1)c1ccc(cc1)[Br])c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4677 |
| logD: | 5.4677 |
| logSw: | -5.5124 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.489 |
| InChI Key: | FEKLVPWSEBHLHN-UHFFFAOYSA-N |