3-{5-[5-bromo-1-(carboxymethyl)-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-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4340-1713 |
| Compound Name: | 3-{5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 471.3 |
| Molecular Formula: | C16 H11 Br N2 O6 S2 |
| Smiles: | C(CN1C(/C(=C2C(N(CC(O)=O)c3ccc(cc\23)[Br])=O)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3189 |
| logD: | -3.7065 |
| logSw: | -2.2311 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.2 |
| InChI Key: | QLNAFZJJJCEUPG-UHFFFAOYSA-N |