N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-bromophenyl)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-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
Compound ID: | K788-0563 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
Molecular Weight: | 507.34 |
Molecular Formula: | C25 H19 Br N2 O5 |
Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6935 |
logD: | 4.6935 |
logSw: | -4.7324 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.62 |
InChI Key: | WXNMHMPKFOYENX-UHFFFAOYSA-N |