N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide
Compound characteristics
| Compound ID: | K788-3809 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzamide |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C24 H18 N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(\C=C2/C(Nc3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8008 |
| logD: | 3.8008 |
| logSw: | -4.2292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.337 |
| InChI Key: | BQHWCPGNWQNZOH-UHFFFAOYSA-N |