6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D341-1794 |
| Compound Name: | 6-bromo-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C24 H19 Br N2 O5 |
| Smiles: | COc1ccc(CN(C(C2=CC(c3cc(ccc3O2)[Br])=O)=O)c2ccccn2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7375 |
| logD: | 4.7375 |
| logSw: | -4.5737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.18 |
| InChI Key: | YFRDSAAPRVLKDG-UHFFFAOYSA-N |