3-{[2-bromo-4-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)phenoxy]methyl}benzoic acid
Chemical Structure Depiction of
3-{[2-bromo-4-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)phenoxy]methyl}benzoic acid
3-{[2-bromo-4-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)phenoxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5885-0397 |
| Compound Name: | 3-{[2-bromo-4-({1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene}methyl)phenoxy]methyl}benzoic acid |
| Molecular Weight: | 564.39 |
| Molecular Formula: | C27 H22 Br N3 O6 |
| Smiles: | Cc1ccc(cc1)NC(CN1C(/C(=C\c2ccc(c(c2)[Br])OCc2cccc(c2)C(O)=O)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9345 |
| logD: | 2.0369 |
| logSw: | -4.6301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.542 |
| InChI Key: | HWSQTAQVVXMGIN-UHFFFAOYSA-N |