[5-({1-[3-(ethoxycarbonyl)phenyl]-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-[3-(ethoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
[5-({1-[3-(ethoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Compound characteristics
| Compound ID: | 5097-3198 |
| Compound Name: | [5-({1-[3-(ethoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C21 H20 N2 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)n1c(C)cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | -0.3875 |
| logSw: | -2.9046 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.516 |
| InChI Key: | FLIBSOVBJYFBFA-UHFFFAOYSA-N |