2-(2-chloro-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-chloro-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0536 |
| Compound Name: | 2-(2-chloro-4-methoxyphenyl)-4-[(2-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C17 H11 Cl N2 O5 |
| Smiles: | COc1ccc(C2=NC(=C/c3ccccc3[N+]([O-])=O)\C(=O)O2)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6777 |
| logD: | 3.6777 |
| logSw: | -4.3403 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71 |
| InChI Key: | NSQTXOLXKJKWID-UHFFFAOYSA-N |