4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate
Chemical Structure Depiction of
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 3229-0205 |
| Compound Name: | 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C20 H14 Br N O3 S2 |
| Smiles: | C=CCN1C(/C(=C\c2ccc(cc2)OC(c2cccc(c2)[Br])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.121 |
| logD: | 5.121 |
| logSw: | -5.4454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.07 |
| InChI Key: | WYUYHNVVRYKUGD-UHFFFAOYSA-N |