4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0234 |
| Compound Name: | 4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 437.63 |
| Molecular Formula: | C17 H10 Br Cl N2 O5 |
| Smiles: | COc1ccc(cc1/C=C1/C(=O)OC(c2ccc(cc2[Cl])[N+]([O-])=O)=N1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6508 |
| logD: | 4.6508 |
| logSw: | -5.0723 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.387 |
| InChI Key: | UJACAVCHJYZAGW-UHFFFAOYSA-N |