2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methoxypropyl)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-(3-methoxypropyl)acetamide
2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | K788-1999 |
| Compound Name: | 2-{6-tert-butyl-2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C25 H29 Cl N2 O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(CC(NCCCOC)=O)C(/C(=C\c1ccc(cc1)[Cl])O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7607 |
| logD: | 4.7607 |
| logSw: | -5.1161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.96 |
| InChI Key: | YYGXDPPWMZQATI-UHFFFAOYSA-N |