4-{[2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-bromo-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-bromo-2-methoxyphenyl acetate
4-{[2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-bromo-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3601-1007 |
| Compound Name: | 4-{[2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-bromo-2-methoxyphenyl acetate |
| Molecular Weight: | 413.24 |
| Molecular Formula: | C15 H13 Br N2 O5 S |
| Smiles: | CC(/N=C1\NC(/C(=C/c2cc(c(cc2[Br])OC(C)=O)OC)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4517 |
| logD: | -0.0629 |
| logSw: | -2.3915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.97 |
| InChI Key: | WLKKGERSLCHIJC-UHFFFAOYSA-N |