4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | C311-0480 |
Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 394.44 |
Molecular Formula: | C23 H23 F N2 O3 |
Smiles: | C1CCCN(CC1)C(CN1C(/C(=C/c2ccccc2F)Oc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9514 |
logD: | 3.9514 |
logSw: | -4.0499 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.756 |
InChI Key: | JAKPFFWVNKDFBA-UHFFFAOYSA-N |