2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3-methylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3-methylphenyl)ethyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3-methylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-0566 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3-methylphenyl)ethyl]acetamide |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C26 H23 Br N2 O3 |
| Smiles: | Cc1cccc(CCNC(CN2C(/C(=C\c3cccc(c3)[Br])Oc3ccccc23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1458 |
| logD: | 5.1458 |
| logSw: | -5.0001 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.346 |
| InChI Key: | GOXGFGKXWWVHOT-UHFFFAOYSA-N |