2-bromo-6-methoxy-4-{[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-{[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-bromo-6-methoxy-4-{[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-2477 |
| Compound Name: | 2-bromo-6-methoxy-4-{[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 461.22 |
| Molecular Formula: | C19 H13 Br N2 O7 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(=O)OC(c3cccc(c3)[N+]([O-])=O)=N2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.3642 |
| logD: | 3.3642 |
| logSw: | -3.7982 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.312 |
| InChI Key: | OPFWYQXTYIIZCL-UHFFFAOYSA-N |