2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K788-6276 |
| Compound Name: | 2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 537.41 |
| Molecular Formula: | C27 H25 Br N2 O5 |
| Smiles: | COc1ccc(CCNC(CN2C(/C(=C\c3ccccc3[Br])Oc3ccccc23)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8515 |
| logD: | 3.8515 |
| logSw: | -4.1136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.607 |
| InChI Key: | IOEUFRVYBWWUPL-UHFFFAOYSA-N |