prop-2-en-1-yl 4-[4-oxo-5-(4-oxo-3-{4-oxo-4-[(prop-2-en-1-yl)oxy]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Chemical Structure Depiction of
prop-2-en-1-yl 4-[4-oxo-5-(4-oxo-3-{4-oxo-4-[(prop-2-en-1-yl)oxy]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
prop-2-en-1-yl 4-[4-oxo-5-(4-oxo-3-{4-oxo-4-[(prop-2-en-1-yl)oxy]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Compound characteristics
| Compound ID: | 1682-6735 |
| Compound Name: | prop-2-en-1-yl 4-[4-oxo-5-(4-oxo-3-{4-oxo-4-[(prop-2-en-1-yl)oxy]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate |
| Molecular Weight: | 514.66 |
| Molecular Formula: | C20 H22 N2 O6 S4 |
| Smiles: | C=CCOC(CCCN1C(/C(=C2/C(N(CCCC(=O)OCC=C)C(=S)S2)=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5068 |
| logD: | 2.5068 |
| logSw: | -2.3318 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 74.323 |
| InChI Key: | PAOCSQBWXIUQIK-UHFFFAOYSA-N |