4-[(4-tert-butylphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(4-tert-butylphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(4-tert-butylphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 1989-9360 |
| Compound Name: | 4-[(4-tert-butylphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc(cc2)C(C)(C)C)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.4147 |
| logD: | 5.4147 |
| logSw: | -5.5002 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.456 |
| InChI Key: | AKEMNUMZHIUCPH-UHFFFAOYSA-N |