N-cyclooctyl-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-cyclooctyl-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-cyclooctyl-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
Compound ID: | K788-4984 |
Compound Name: | N-cyclooctyl-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
Molecular Weight: | 422.5 |
Molecular Formula: | C25 H27 F N2 O3 |
Smiles: | C1CCCC(CCC1)NC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2333 |
logD: | 5.2333 |
logSw: | -5.288 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.561 |
InChI Key: | HPSVROBJYULULF-UHFFFAOYSA-N |