N-[3-(azepan-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[3-(azepan-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5003 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C26 H30 F N3 O3 |
| Smiles: | C1CCCN(CC1)CCCNC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6597 |
| logD: | 1.0311 |
| logSw: | -3.9215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.659 |
| InChI Key: | FJDMULNWPZLCHO-UHFFFAOYSA-N |