3-{5-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 4340-1661 |
| Compound Name: | 3-{5-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C17 H13 Br N2 O4 S2 |
| Smiles: | C=CCN1C(C(=C2/C(N(CCC(O)=O)C(=S)S2)=O)/c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3658 |
| logD: | -0.1668 |
| logSw: | -2.7487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.795 |
| InChI Key: | LZIRQPJKWVOGKM-UHFFFAOYSA-N |