6-bromo-7'-hydroxy-8'-[(pyrrolidin-1-yl)methyl]-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Chemical Structure Depiction of
6-bromo-7'-hydroxy-8'-[(pyrrolidin-1-yl)methyl]-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
6-bromo-7'-hydroxy-8'-[(pyrrolidin-1-yl)methyl]-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione
Compound characteristics
| Compound ID: | G786-1892 |
| Compound Name: | 6-bromo-7'-hydroxy-8'-[(pyrrolidin-1-yl)methyl]-2H,2'H-[3,4'-bi-1-benzopyran]-2,2'-dione |
| Molecular Weight: | 468.3 |
| Molecular Formula: | C23 H18 Br N O5 |
| Smiles: | C1CCN(C1)Cc1c(ccc2C(=CC(=O)Oc12)C1=Cc2cc(ccc2OC1=O)[Br])O |
| Stereo: | ACHIRAL |
| logP: | 3.8085 |
| logD: | 3.2672 |
| logSw: | -3.7579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.627 |
| InChI Key: | DNKCLMNKGHTCSC-UHFFFAOYSA-N |