4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8005-7533 |
| Compound Name: | 4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 437.63 |
| Molecular Formula: | C17 H10 Br Cl N2 O5 |
| Smiles: | COc1ccc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0541 |
| logD: | 4.0541 |
| logSw: | -4.6051 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.387 |
| InChI Key: | SRECZDSDAKQNDR-UHFFFAOYSA-N |