8'-[(azepan-1-yl)methyl]-7'-hydroxy-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
8'-[(azepan-1-yl)methyl]-7'-hydroxy-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
8'-[(azepan-1-yl)methyl]-7'-hydroxy-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | G786-1899 |
| Compound Name: | 8'-[(azepan-1-yl)methyl]-7'-hydroxy-8-methoxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C26 H25 N O6 |
| Smiles: | COc1cccc2C=C(C3=CC(=O)Oc4c3ccc(c4CN3CCCCCC3)O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8941 |
| logD: | 3.6068 |
| logSw: | -3.7917 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.907 |
| InChI Key: | DRIJSUQIIIDMSF-UHFFFAOYSA-N |