N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-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-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-4977 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C25 H19 F N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9333 |
| logD: | 3.9333 |
| logSw: | -4.1555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.62 |
| InChI Key: | PTCNFEUKJYLHHI-UHFFFAOYSA-N |