4-[(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2113-0163 |
| Compound Name: | 4-[(6,8-dichloro-4-oxo-4H-1-benzopyran-3-yl)methylidene]-2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 461.21 |
| Molecular Formula: | C20 H10 Cl2 N2 O7 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1=NC(=C/C2=COc3c(cc(cc3[Cl])[Cl])C2=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.7937 |
| logD: | 3.7937 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.664 |
| InChI Key: | IJJXCSXIKPSXHQ-UHFFFAOYSA-N |