7-[(2-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(2-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
7-[(2-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8554 |
| Compound Name: | 7-[(2-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 554.48 |
| Molecular Formula: | C29 H32 Br N O5 |
| Smiles: | CC1=C(CCC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1ccccc1[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.94 |
| logD: | 4.94 |
| logSw: | -4.5178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.381 |
| InChI Key: | CDCGIXGHTONWNB-UHFFFAOYSA-N |