4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
Compound ID: | 1207-0055 |
Compound Name: | 4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid |
Molecular Weight: | 314.32 |
Molecular Formula: | C15 H10 N2 O4 S |
Smiles: | C(=C1/C(NC(N1)=S)=O)/c1ccc(c2ccc(cc2)C(O)=O)o1 |
Stereo: | ACHIRAL |
logP: | 2.876 |
logD: | -0.8518 |
logSw: | -3.4676 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 72.272 |
InChI Key: | VSEUBSIOCPHOEN-YRNVUSSQSA-N |