6-bromo-N-[(4-methylphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-bromo-N-[(4-methylphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
6-bromo-N-[(4-methylphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D341-1758 |
| Compound Name: | 6-bromo-N-[(4-methylphenyl)methyl]-4-oxo-N-(pyridin-2-yl)-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 449.3 |
| Molecular Formula: | C23 H17 Br N2 O3 |
| Smiles: | Cc1ccc(CN(C(C2=CC(c3cc(ccc3O2)[Br])=O)=O)c2ccccn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5879 |
| logD: | 5.5879 |
| logSw: | -5.376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.919 |
| InChI Key: | XYDZKMMQEPAITN-UHFFFAOYSA-N |