3-{5-[1-(3-methylbutyl)-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-(3-methylbutyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[1-(3-methylbutyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y070-0075 |
| Compound Name: | 3-{5-[1-(3-methylbutyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | CC(C)CCN1C(C(=C2/C(N(CCC(O)=O)C(=S)S2)=O)/c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5116 |
| logD: | -0.021 |
| logSw: | -2.697 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.795 |
| InChI Key: | NPFHIHMQMGBAGQ-UHFFFAOYSA-N |