4-[(2-chloro-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-chloro-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
4-[(2-chloro-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0274 |
| Compound Name: | 4-[(2-chloro-5-nitroanilino)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 433.8 |
| Molecular Formula: | C19 H16 Cl N3 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C1=NC(=C/Nc2cc(ccc2[Cl])[N+]([O-])=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.0229 |
| logD: | 2.6202 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.638 |
| InChI Key: | SPTRXQQRSAKPDV-UHFFFAOYSA-N |