2-[5-(1-benzyl-5-bromo-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-benzyl-5-bromo-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-benzyl-5-bromo-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: | 4340-1685 |
| Compound Name: | 2-[5-(1-benzyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid |
| Molecular Weight: | 539.44 |
| Molecular Formula: | C20 H15 Br N2 O5 S3 |
| Smiles: | C(CS(O)(=O)=O)N1C(/C(=C2C(N(Cc3ccccc3)c3ccc(cc\23)[Br])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3019 |
| logD: | -7.0159 |
| logSw: | -3.1973 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.22 |
| InChI Key: | PHFYHKWWMNHULY-UHFFFAOYSA-N |