N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5011 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{(2E)-2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C27 H32 F N3 O3 |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C(/C(=C\c3cccc(c3)F)Oc3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0034 |
| logD: | 1.3985 |
| logSw: | -4.0694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.195 |
| InChI Key: | BQPMHRMSNBOYRR-UHFFFAOYSA-N |