2-[(3-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-[(3-fluorophenyl)methylidene]-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-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: | K788-4967 |
| Compound Name: | 2-[(3-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\c2cccc(c2)F)Oc2ccccc12)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1708 |
| logD: | 3.1707 |
| logSw: | -3.486 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.048 |
| InChI Key: | UNYGZZIARLDJJX-UHFFFAOYSA-N |