2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide
Compound characteristics
| Compound ID: | K788-0564 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-(2,2-dimethoxyethyl)acetamide |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C21 H21 Br N2 O5 |
| Smiles: | COC(CNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.734 |
| logD: | 2.734 |
| logSw: | -3.2996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.27 |
| InChI Key: | CKLDISQVSBJWCQ-UHFFFAOYSA-N |