2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-methylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-methylphenyl)ethyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-methylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-5947 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(4-methylphenyl)ethyl]acetamide |
| Molecular Weight: | 521.41 |
| Molecular Formula: | C27 H25 Br N2 O4 |
| Smiles: | Cc1ccc(CCNC(CN2C(/C(=C/c3ccc(c(c3)[Br])OC)Oc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5512 |
| logD: | 4.5512 |
| logSw: | -4.3789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.976 |
| InChI Key: | RZHHSXBTOQGSCD-UHFFFAOYSA-N |