4-({2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3972-0435 |
| Compound Name: | 4-({2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H16 N2 O5 S |
| Smiles: | COc1cc(\C=C2/C(NC(N2)=S)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7138 |
| logD: | -0.2577 |
| logSw: | -3.1861 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.647 |
| InChI Key: | ORABJUNQEVDLLS-UHFFFAOYSA-N |