4-[(4-butoxyphenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-butoxyphenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-butoxyphenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2062-1147 |
| Compound Name: | 4-[(4-butoxyphenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CCCCOc1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9195 |
| logD: | 4.9195 |
| logSw: | -5.2077 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.874 |
| InChI Key: | ONTWIDXNYZOLND-UHFFFAOYSA-N |