N-[2-(3,4-diethoxyphenyl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5774 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C29 H29 F N2 O5 |
| Smiles: | CCOc1ccc(CCNC(CN2C(/C(=C\c3ccccc3F)Oc3ccccc23)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8878 |
| logD: | 3.8878 |
| logSw: | -3.9889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.766 |
| InChI Key: | DIHYLVVKZKJLSU-UHFFFAOYSA-N |