7-[(4-tert-butylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
7-[(4-tert-butylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-8542 |
| Compound Name: | 7-[(4-tert-butylphenyl)methoxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C32 H39 N O5 |
| Smiles: | CC1=C(CC(N2CCC3(CCCCC3C2)O)=O)C(=O)Oc2cc(ccc12)OCc1ccc(cc1)C(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0447 |
| logD: | 6.0447 |
| logSw: | -5.2666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.381 |
| InChI Key: | ZNDIKTOTXORECR-UHFFFAOYSA-N |