2-[(3-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8165 |
| Compound Name: | 2-[(3-methylphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Smiles: | Cc1cccc(\C=C2/C(N(CC(N3CCN(CC3)c3ccccn3)=O)c3ccccc3O2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1258 |
| logD: | 4.117 |
| logSw: | -4.3369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.197 |
| InChI Key: | XMGCAXKWZYEYJW-UHFFFAOYSA-N |