5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Chemical Structure Depiction of
5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Compound characteristics
Compound ID: | 1016-0008 |
Compound Name: | 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
Molecular Weight: | 310.28 |
Molecular Formula: | C12 H10 N2 O6 S |
Smiles: | CCOc1cc(\C=C2/C(NC(=O)S2)=O)cc(c1O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.7738 |
logD: | 0.9489 |
logSw: | -2.5357 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.678 |
InChI Key: | KHGSTORHXXLQBR-UHFFFAOYSA-N |