4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1107 |
| Compound Name: | 4-[(4-chloro-3-nitroanilino)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 357.75 |
| Molecular Formula: | C17 H12 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C\Nc2ccc(c(c2)[N+]([O-])=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6195 |
| logD: | 3.2679 |
| logSw: | -4.2354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.057 |
| InChI Key: | FTDPWUNZYZTWSY-UHFFFAOYSA-N |