2-(3-bromo-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K088-3092 |
Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
Molecular Weight: | 403.19 |
Molecular Formula: | C17 H11 Br N2 O5 |
Smiles: | COc1ccc(cc1[Br])C1=NC(=C\c2ccccc2[N+]([O-])=O)\C(=O)O1 |
Stereo: | ACHIRAL |
logP: | 3.711 |
logD: | 3.711 |
logSw: | -4.2249 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.087 |
InChI Key: | QQHOZZNMYRRITC-UHFFFAOYSA-N |