2-(3-bromo-4-methoxyphenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromo-4-methoxyphenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(3-bromo-4-methoxyphenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3061 |
| Compound Name: | 2-(3-bromo-4-methoxyphenyl)-4-[(4-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\c2ccc(cc2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.8358 |
| logD: | 3.8358 |
| logSw: | -4.2704 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.387 |
| InChI Key: | WLRAHLDFBRIVKV-UHFFFAOYSA-N |