5-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-2-(morpholin-4-yl)benzoic acid
Chemical Structure Depiction of
5-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-2-(morpholin-4-yl)benzoic acid
5-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-2-(morpholin-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8011-5845 |
| Compound Name: | 5-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-2-(morpholin-4-yl)benzoic acid |
| Molecular Weight: | 528.2 |
| Molecular Formula: | C20 H20 Br2 N2 O5 |
| Smiles: | C1C2C3C(C1C(C2[Br])[Br])C(N(C3=O)c1ccc(c(c1)C(O)=O)N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9421 |
| logD: | -0.1134 |
| logSw: | -2.4982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.193 |
| InChI Key: | QBUWWUNLFBZXMM-UHFFFAOYSA-N |