7-[(3-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(3-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-1-benzopyran-2-one
7-[(3-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8550 |
| Compound Name: | 7-[(3-bromophenyl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 568.51 |
| Molecular Formula: | C30 H34 Br N O5 |
| Smiles: | CC1=C(CCC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2c1ccc(c2C)OCc1cccc(c1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7033 |
| logD: | 5.7033 |
| logSw: | -5.2907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.152 |
| InChI Key: | BORPCOHHTCSLEY-UHFFFAOYSA-N |