2-[(3-fluorophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-fluorophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
2-[(3-fluorophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-4972 |
| Compound Name: | 2-[(3-fluorophenyl)methylidene]-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C28 H26 F N3 O4 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0068 |
| logD: | 4.0065 |
| logSw: | -4.2185 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.015 |
| InChI Key: | CBIKTHHSIGBEHU-UHFFFAOYSA-N |