6-(azepane-1-carbonyl)-2-[(2-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-[(2-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-carbonyl)-2-[(2-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F389-0229 |
| Compound Name: | 6-(azepane-1-carbonyl)-2-[(2-methoxyphenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | COc1ccccc1\C=C1/C(Nc2cc(ccc2O1)C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9828 |
| logD: | 3.9828 |
| logSw: | -4.1646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.417 |
| InChI Key: | WZMLFCKEUWHHMS-UHFFFAOYSA-N |