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}-1lambda~6~-thiolane-1,1-dione
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}-1lambda~6~-thiolane-1,1-dione
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}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 4340-1652 |
| 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}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 499.42 |
| Molecular Formula: | C18 H15 Br N2 O4 S3 |
| Smiles: | C=CCN1C(C(=C2/C(N(C3CCS(C3)(=O)=O)C(=S)S2)=O)/c2cc(ccc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3656 |
| logD: | 2.3656 |
| logSw: | -2.9142 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 59.82 |
| InChI Key: | XYTWOBASLVXYDC-NSHDSACASA-N |