{5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 6332-2256 |
| Compound Name: | {5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C14 H16 N2 O3 S2 |
| Smiles: | CCn1c(C)cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 1.1756 |
| logD: | -1.9433 |
| logSw: | -1.6943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.016 |
| InChI Key: | KTTGDCQTQWQTSC-UHFFFAOYSA-N |