N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-6312 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 480.88 |
| Molecular Formula: | C25 H18 Cl F N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C/c2c(cccc2[Cl])F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2561 |
| logD: | 4.2561 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.62 |
| InChI Key: | LYKNBYLTVFUJJC-UHFFFAOYSA-N |