3-(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)propanoic acid
Chemical Structure Depiction of
3-(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)propanoic acid
3-(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)propanoic acid
Compound characteristics
| Compound ID: | 4340-0581 |
| Compound Name: | 3-(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)propanoic acid |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C24 H21 N3 O6 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(C(=C2/C(N(CCC(O)=O)C(=S)S2)=O)/c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3099 |
| logD: | -0.2227 |
| logSw: | -2.9913 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.818 |
| InChI Key: | LQPRVDZOKAOCQB-UHFFFAOYSA-N |