7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8551 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 554.04 |
| Molecular Formula: | C30 H32 Cl N O7 |
| Smiles: | CC1=C(CCC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.849 |
| logD: | 4.849 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.496 |
| InChI Key: | VHDUYFRZGGJNDS-UHFFFAOYSA-N |