8'-[(azepan-1-yl)methyl]-7'-hydroxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
8'-[(azepan-1-yl)methyl]-7'-hydroxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
8'-[(azepan-1-yl)methyl]-7'-hydroxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | G786-1898 |
| Compound Name: | 8'-[(azepan-1-yl)methyl]-7'-hydroxy-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C25 H23 N O5 |
| Smiles: | C1CCCN(CC1)Cc1c(ccc2C(=CC(=O)Oc12)C1=Cc2ccccc2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.9453 |
| logD: | 3.658 |
| logSw: | -3.7364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.592 |
| InChI Key: | QJQVTDFEVJGTHQ-UHFFFAOYSA-N |