2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-1003 |
| Compound Name: | 2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 415.83 |
| Molecular Formula: | C20 H18 Cl N3 O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccc(c(c2)[N+]([O-])=O)[Cl])\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6284 |
| logD: | 4.2768 |
| logSw: | -4.8988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.475 |
| InChI Key: | PECNRNXBLXLCLP-UHFFFAOYSA-N |