N-[2-(azepan-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C311-0456 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C25 H28 F N3 O3 |
| Smiles: | C1CCCN(CC1)CCNC(CN1C(/C(=C/c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6212 |
| logD: | 2.1356 |
| logSw: | -3.7808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.659 |
| InChI Key: | VCNNAVFDALWBQW-UHFFFAOYSA-N |