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 |