2-{3-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{3-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5782-4253 |
| Compound Name: | 2-{3-[2-(4-bromophenyl)-2-oxoethoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C22 H18 Br N O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1cccc(c1)OCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8986 |
| logD: | 3.8986 |
| logSw: | -4.2947 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.547 |
| InChI Key: | WXIDKYMCUOOFRR-UHFFFAOYSA-N |