N-(2H-1,3-benzodioxol-5-yl)-2-(3-benzoyl-6,7-dimethoxy-4-oxoquinolin-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-benzoyl-6,7-dimethoxy-4-oxoquinolin-1(4H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-benzoyl-6,7-dimethoxy-4-oxoquinolin-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C647-0057 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-benzoyl-6,7-dimethoxy-4-oxoquinolin-1(4H)-yl)acetamide |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C27 H22 N2 O7 |
| Smiles: | COc1cc2C(C(=CN(CC(Nc3ccc4c(c3)OCO4)=O)c2cc1OC)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4939 |
| logD: | 3.4939 |
| logSw: | -3.9216 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.555 |
| InChI Key: | IMMJQIBDZKNLCW-UHFFFAOYSA-N |