4-[(4-chloro-3-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chloro-3-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(4-chloro-3-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0489 |
| Compound Name: | 4-[(4-chloro-3-nitroanilino)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 373.75 |
| Molecular Formula: | C17 H12 Cl N3 O5 |
| Smiles: | COc1cccc(c1)C1=NC(=C\Nc2ccc(c(c2)[N+]([O-])=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.2324 |
| logD: | 2.8809 |
| logSw: | -3.9811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.601 |
| InChI Key: | QVMOYWLJNHXBBE-UHFFFAOYSA-N |