4-({2-ethoxy-4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-ethoxy-4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-ethoxy-4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
Compound ID: | 5371-3944 |
Compound Name: | 4-({2-ethoxy-4-[(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid |
Molecular Weight: | 412.46 |
Molecular Formula: | C21 H20 N2 O5 S |
Smiles: | CCOc1cc(/C=C2/C(N(C)C(N2)=S)=O)ccc1OCc1ccc(cc1)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.0346 |
logD: | 0.0631 |
logSw: | -3.3181 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.478 |
InChI Key: | HVTOIVQOEICGBF-UHFFFAOYSA-N |