N-[3-(butylsulfanyl)propyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[3-(butylsulfanyl)propyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5448 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C24 H27 F N2 O3 S |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C\c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4118 |
| logD: | 4.4118 |
| logSw: | -4.3175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.617 |
| InChI Key: | YCYVYLQHQRUDCY-UHFFFAOYSA-N |