2-[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]ethane-1-sulfonic acid
Chemical Structure Depiction of
2-[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]ethane-1-sulfonic acid
2-[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]ethane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4340-0589 |
| Compound Name: | 2-[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]ethane-1-sulfonic acid |
| Molecular Weight: | 571.57 |
| Molecular Formula: | C22 H16 F3 N3 O6 S3 |
| Smiles: | C(CS(O)(=O)=O)N1C(/C(=C2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)c3ccccc\23)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8042 |
| logD: | -7.5136 |
| logSw: | -2.9556 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.37 |
| InChI Key: | WAQMHVNONNSMQL-UHFFFAOYSA-N |