3-({2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
3-({2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 4361-0684 |
| Compound Name: | 3-({2-bromo-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 461.27 |
| Molecular Formula: | C20 H17 Br N2 O6 |
| Smiles: | CCOc1cc(\C=C2/C(NC(N2)=O)=O)cc(c1OCc1cccc(c1)C(O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3148 |
| logD: | 0.4173 |
| logSw: | -3.532 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.33 |
| InChI Key: | PYISGCCCESWXAI-UHFFFAOYSA-N |