2-(5-{1-[2-(4-ethoxyanilino)-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-(4-ethoxyanilino)-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-(4-ethoxyanilino)-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: | 4340-0580 |
| Compound Name: | 2-(5-{1-[2-(4-ethoxyanilino)-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: | 547.63 |
| Molecular Formula: | C23 H21 N3 O7 S3 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(C(=C2/C(N(CCS(O)(=O)=O)C(=S)S2)=O)/c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1299 |
| logD: | -8.1879 |
| logSw: | -2.5777 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.493 |
| InChI Key: | MHXKNDMOMWMKKU-UHFFFAOYSA-N |