4-[(1-acetyl-1H-indol-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(1-acetyl-1H-indol-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(1-acetyl-1H-indol-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3024 |
| Compound Name: | 4-[(1-acetyl-1H-indol-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 409.78 |
| Molecular Formula: | C20 H12 Cl N3 O5 |
| Smiles: | CC(n1c(\C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)cc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4988 |
| logD: | 3.4988 |
| logSw: | -4.0318 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.371 |
| InChI Key: | HLQJASCNNSPQKL-UHFFFAOYSA-N |