2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | K788-2005 |
| Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C24 H27 Cl N2 O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCCOC)=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5612 |
| logD: | 4.5612 |
| logSw: | -5.0156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.96 |
| InChI Key: | LWIBVEPCYZGHDO-UHFFFAOYSA-N |