2-(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)ethane-1-sulfonic acid
Chemical Structure Depiction of
2-(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)ethane-1-sulfonic acid
2-(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)ethane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4340-0553 |
| Compound Name: | 2-(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)ethane-1-sulfonic acid |
| Molecular Weight: | 582.47 |
| Molecular Formula: | C21 H16 Br N3 O6 S3 |
| Smiles: | C(CS(O)(=O)=O)N1C(/C(=C2C(N(CC(Nc3cccc(c3)[Br])=O)c3ccccc\23)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.569 |
| logD: | -7.7488 |
| logSw: | -2.7625 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.37 |
| InChI Key: | IQWKHNPYLCUEJX-UHFFFAOYSA-N |