3-[2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl]propanoic acid
Chemical Structure Depiction of
3-[2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl]propanoic acid
3-[2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl]propanoic acid
Compound characteristics
| Compound ID: | 4311-1865 |
| Compound Name: | 3-[2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl]propanoic acid |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CCCN1C(\C(=C\C=C2/N(CCC(O)=O)c3ccccc3O2)N(CCO)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2709 |
| logD: | -1.236 |
| logSw: | -1.9367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.368 |
| InChI Key: | MLOUQZCXEHRJSD-UHFFFAOYSA-N |