2-bromo-6-methoxy-4-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-bromo-6-methoxy-4-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-1433 |
| Compound Name: | 2-bromo-6-methoxy-4-{[2-(2-methoxy-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 491.25 |
| Molecular Formula: | C20 H15 Br N2 O8 |
| Smiles: | CC(=O)Oc1c(cc(\C=C2/C(=O)OC(c3cc(ccc3OC)[N+]([O-])=O)=N2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.1257 |
| logD: | 3.1257 |
| logSw: | -3.6261 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.942 |
| InChI Key: | JOWHZVQACYRKGF-UHFFFAOYSA-N |