2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5927 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[(propan-2-yl)oxy]propyl}acetamide |
| Molecular Weight: | 503.39 |
| Molecular Formula: | C24 H27 Br N2 O5 |
| Smiles: | CC(C)OCCCNC(CN1C(/C(=C/c2ccc(c(c2)[Br])OC)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3606 |
| logD: | 3.3606 |
| logSw: | -3.802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.449 |
| InChI Key: | FWHMSAXEZYFWGT-UHFFFAOYSA-N |