1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Compound characteristics
Compound ID: | E690-0095 |
Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one |
Molecular Weight: | 458.58 |
Molecular Formula: | C27 H26 N2 O3 S |
Smiles: | Cc1ccc(CS(c2cn(CC(N3CCc4ccccc4C3)=O)c3ccccc23)(=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.2163 |
logD: | 4.2163 |
logSw: | -3.9812 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.79 |
InChI Key: | DWJGMMDCZRKSAB-UHFFFAOYSA-N |