2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(pyridin-3-yl)methyl]acetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K788-0495 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 464.32 |
| Molecular Formula: | C23 H18 Br N3 O3 |
| Smiles: | C(c1cccnc1)NC(CN1C(/C(=C/c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5527 |
| logD: | 3.5503 |
| logSw: | -3.5823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.022 |
| InChI Key: | OTEYUMOFCBKGLT-UHFFFAOYSA-N |