N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-benzylidene-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-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-6397 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-benzylidene-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C25 H20 N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C\c2ccccc2)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9156 |
| logD: | 3.9156 |
| logSw: | -4.1716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.62 |
| InChI Key: | FJOMJUSVGDMUPP-UHFFFAOYSA-N |