N-{2-[butyl(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-[butyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{2-[butyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5009 |
| Compound Name: | N-{2-[butyl(methyl)amino]ethyl}-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C24 H28 F N3 O3 |
| Smiles: | CCCCN(C)CCNC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3691 |
| logD: | 1.9141 |
| logSw: | -3.804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.69 |
| InChI Key: | HRIOMXSWGYOMCF-UHFFFAOYSA-N |