N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
Compound ID: | K788-5014 |
Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
Molecular Weight: | 459.52 |
Molecular Formula: | C27 H26 F N3 O3 |
Smiles: | CN(CCNC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.566 |
logD: | 3.0715 |
logSw: | -3.9246 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.44 |
InChI Key: | YSPJXMQXDCZDET-UHFFFAOYSA-N |