2-{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}ethane-1-sulfonic acid
Chemical Structure Depiction of
2-{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}ethane-1-sulfonic acid
2-{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}ethane-1-sulfonic acid
Compound characteristics
| Compound ID: | 4340-1654 |
| Compound Name: | 2-{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}ethane-1-sulfonic acid |
| Molecular Weight: | 489.38 |
| Molecular Formula: | C16 H13 Br N2 O5 S3 |
| Smiles: | C=CCN1C(C(=C2/C(N(CCS(O)(=O)=O)C(=S)S2)=O)/c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1858 |
| logD: | -8.132 |
| logSw: | -2.4429 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.47 |
| InChI Key: | LRFRWBBCFKLHCO-UHFFFAOYSA-N |