4-[(4-chlorophenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-chlorophenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-chlorophenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1391 |
| Compound Name: | 4-[(4-chlorophenyl)methylidene]-2-(2-methoxy-5-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 358.74 |
| Molecular Formula: | C17 H11 Cl N2 O5 |
| Smiles: | COc1ccc(cc1C1=NC(=C\c2ccc(cc2)[Cl])\C(=O)O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5742 |
| logD: | 3.5742 |
| logSw: | -4.3091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.387 |
| InChI Key: | NLRRGWUPPUCSFA-UHFFFAOYSA-N |