2-[(4-fluorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-fluorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(4-fluorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5213 |
| Compound Name: | 2-[(4-fluorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C25 H22 F N5 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2ccc(cc2)F)Oc2ccccc12)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1778 |
| logD: | 3.1778 |
| logSw: | -3.5375 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.048 |
| InChI Key: | KMQTYYKOTOKUHM-UHFFFAOYSA-N |