2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K788-5913 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C23 H19 Br N2 O4 S |
| Smiles: | COc1ccc(/C=C2/C(N(CC(NCc3cccs3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3282 |
| logD: | 4.3282 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.153 |
| InChI Key: | IHJQMQJINBVGOJ-UHFFFAOYSA-N |