2-[(3-methylphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(3-methylphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8152 |
| Compound Name: | 2-[(3-methylphenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | Cc1cccc(\C=C2/C(N(CC(N3CCN(CC3)c3ccccc3)=O)c3ccccc3O2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4582 |
| logD: | 4.4581 |
| logSw: | -4.4581 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.686 |
| InChI Key: | WLTAQPDVAZOISW-UHFFFAOYSA-N |