4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5218 |
| Compound Name: | 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-[(4-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C27 H23 Cl F N3 O3 |
| Smiles: | C1CN(CCN1C(CN1C(/C(=C\c2ccc(cc2)F)Oc2ccccc12)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5968 |
| logD: | 4.5968 |
| logSw: | -4.9841 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.686 |
| InChI Key: | VIBHNHYJDOSZSL-UHFFFAOYSA-N |