2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-[(pyridin-3-yl)methyl]acetamide
2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | IB05-1044 |
| Compound Name: | 2-{[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C25 H22 N2 O6 |
| Smiles: | COc1ccc(cc1OC)C1=Cc2ccc(cc2OC1=O)OCC(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.19 |
| logD: | 2.19 |
| logSw: | -3.37 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 153.43 |
| InChI Key: | DAXLGTCQWDTJPO-UHFFFAOYSA-N |