2-(3-methoxyphenyl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-methoxyphenyl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(3-methoxyphenyl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0471 |
| Compound Name: | 2-(3-methoxyphenyl)-4-[(3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | COc1cccc(c1)C1=NC(=C\Nc2cccc(c2)[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.0255 |
| logD: | 3.0169 |
| logSw: | -3.5593 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.902 |
| InChI Key: | PBRHKIRIERDTKY-UHFFFAOYSA-N |