2-ethoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-ethoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
2-ethoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 1588-0017 |
| Compound Name: | 2-ethoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C22 H18 N2 O6 S2 |
| Smiles: | CCOc1cc(/C=C2/C(N(CC=C)C(=S)S2)=O)ccc1OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3251 |
| logD: | 4.3251 |
| logSw: | -4.5719 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 77.748 |
| InChI Key: | YGKROHMKYNHQOB-UHFFFAOYSA-N |