8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2745 |
| Compound Name: | 8-[(azepan-1-yl)methyl]-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C25 H29 N O5 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCCCC3)c2O1)O)=O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1925 |
| logD: | 3.2815 |
| logSw: | -4.016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.882 |
| InChI Key: | HFHSMLHVKGDRMN-UHFFFAOYSA-N |