N-(2,2-dimethoxyethyl)-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-(2,2-dimethoxyethyl)-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-4986 |
| Compound Name: | N-(2,2-dimethoxyethyl)-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C21 H21 F N2 O5 |
| Smiles: | COC(CNC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9737 |
| logD: | 1.9737 |
| logSw: | -2.6381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.27 |
| InChI Key: | ATHQKYBXUQHBGZ-UHFFFAOYSA-N |