3,4,5-trimethoxy-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
3,4,5-trimethoxy-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Compound characteristics
| Compound ID: | 2125-0458 |
| Compound Name: | 3,4,5-trimethoxy-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide |
| Molecular Weight: | 400.34 |
| Molecular Formula: | C19 H16 N2 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4473 |
| logD: | 2.4471 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.574 |
| InChI Key: | BCYXRCFTVSEAPC-UHFFFAOYSA-N |