N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-methylphenyl)methyl]-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-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5697 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C32 H26 N2 O5 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCc3ccc4c(c3)OCO4)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.848 |
| logD: | 5.848 |
| logSw: | -5.5217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.562 |
| InChI Key: | WHBMEHIGQRCGGC-UHFFFAOYSA-N |