4-({4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
4-({4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
Compound ID: | 5790-2017 |
Compound Name: | 4-({4-[(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
Molecular Weight: | 466.56 |
Molecular Formula: | C25 H26 N2 O5 S |
Smiles: | COc1cc(/C=C2/C(N(C3CCCCC3)C(N2)=S)=O)ccc1OCc1ccc(cc1)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.734 |
logD: | 1.7625 |
logSw: | -4.5727 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.082 |
InChI Key: | IFTRKFJLNFGYEB-UHFFFAOYSA-N |