5-bromo-2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]benzoic acid
Chemical Structure Depiction of
5-bromo-2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]benzoic acid
5-bromo-2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 3226-0660 |
| Compound Name: | 5-bromo-2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]benzoic acid |
| Molecular Weight: | 481.3 |
| Molecular Formula: | C23 H17 Br N2 O5 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(cc1)C(Nc1ccc(cc1C(O)=O)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0352 |
| logD: | -1.9171 |
| logSw: | -3.4388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.526 |
| InChI Key: | LZYULZVHNJNUPO-UHFFFAOYSA-N |