4-({2-chloro-4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-chloro-4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-chloro-4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5777-0283 |
| Compound Name: | 4-({2-chloro-4-[(1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C20 H17 Cl N2 O4 S |
| Smiles: | CCN1C(/C(=C/c2ccc(c(c2)[Cl])OCc2ccc(cc2)C(O)=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2421 |
| logD: | 1.2706 |
| logSw: | -4.4948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.227 |
| InChI Key: | QHJTZWTWZNWPJI-UHFFFAOYSA-N |