4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8014-0706 |
| Compound Name: | 4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C20 H17 N O5 S3 |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C2/C(N(CC=C)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1987 |
| logD: | 4.1987 |
| logSw: | -4.3032 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 59.998 |
| InChI Key: | RZPXRELHDHYXLA-UHFFFAOYSA-N |