4-{[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-chloro-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-chloro-2-methoxyphenyl acetate
4-{[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-chloro-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 8012-5274 |
| Compound Name: | 4-{[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-5-chloro-2-methoxyphenyl acetate |
| Molecular Weight: | 451.84 |
| Molecular Formula: | C17 H14 Cl N5 O6 S |
| Smiles: | CC(Nc1c(non1)N1C(=N)SC(=C\c2cc(c(cc2[Cl])OC(C)=O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1432 |
| logD: | 0.7408 |
| logSw: | -3.2573 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.289 |
| InChI Key: | PSYFQZDSOHMIHD-UHFFFAOYSA-N |