4-[(4-butylanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butylanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
4-[(4-butylanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2124-0313 |
| Compound Name: | 4-[(4-butylanilino)methylidene]-2-[2-(3-nitrophenyl)ethenyl]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | CCCCc1ccc(cc1)N\C=C1/C(=O)OC(/C=C/c2cccc(c2)[N+]([O-])=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 5.6025 |
| logD: | 5.6021 |
| logSw: | -5.3725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.504 |
| InChI Key: | HGKUZANWSBZSGJ-UHFFFAOYSA-N |