3-(5-{1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4340-0604 |
| Compound Name: | 3-(5-{1-[2-(4-fluoroanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C22 H16 F N3 O5 S2 |
| Smiles: | C(CN1C(/C(=C2C(N(CC(Nc3ccc(cc3)F)=O)c3ccccc\23)=O)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.97 |
| logD: | -0.5626 |
| logSw: | -2.9136 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.694 |
| InChI Key: | BLCGWHXFRDSNIK-UHFFFAOYSA-N |