3-[4-oxo-5-(2-oxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2-dihydro-3H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Chemical Structure Depiction of
3-[4-oxo-5-(2-oxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2-dihydro-3H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3-[4-oxo-5-(2-oxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2-dihydro-3H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Compound characteristics
| Compound ID: | 4340-0590 |
| Compound Name: | 3-[4-oxo-5-(2-oxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2-dihydro-3H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| Molecular Weight: | 535.52 |
| Molecular Formula: | C23 H16 F3 N3 O5 S2 |
| Smiles: | C(CN1C(/C(=C2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)c3ccccc\23)=O)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9842 |
| logD: | 0.4516 |
| logSw: | -3.6228 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.694 |
| InChI Key: | RSXRGDYCYWPQBL-UHFFFAOYSA-N |