3-(5-{1-[2-(3-bromoanilino)-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-(3-bromoanilino)-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-(3-bromoanilino)-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: | 4340-0554 |
| Compound Name: | 3-(5-{1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 546.42 |
| Molecular Formula: | C22 H16 Br N3 O5 S2 |
| Smiles: | C(CN1C(/C(=C2C(N(CC(Nc3cccc(c3)[Br])=O)c3ccccc\23)=O)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.749 |
| logD: | 0.2164 |
| logSw: | -3.4572 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.694 |
| InChI Key: | DVZKLVNQCCILCK-UHFFFAOYSA-N |