2-bromo-6-ethoxy-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-bromo-6-ethoxy-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate
2-bromo-6-ethoxy-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 5617-0008 |
| Compound Name: | 2-bromo-6-ethoxy-4-{[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 430.34 |
| Molecular Formula: | C16 H16 Br N O4 S2 |
| Smiles: | CCOc1cc(/C=C2/C(=O)SC(=N2)SCC)cc(c1OC(C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1604 |
| logD: | 4.1604 |
| logSw: | -4.2581 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 50.488 |
| InChI Key: | JIYJUGVCAUNVTI-UHFFFAOYSA-N |