2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-6611 |
| Compound Name: | 2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C27 H24 F N3 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2ccccc2F)Oc2ccccc12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0907 |
| logD: | 4.0907 |
| logSw: | -4.4563 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.686 |
| InChI Key: | ATVNHARFBLVQMX-UHFFFAOYSA-N |