N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
Compound ID: | C111-0055 |
Compound Name: | N-(2,6-diethylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
Molecular Weight: | 520.69 |
Molecular Formula: | C30 H36 N2 O4 S |
Smiles: | CCc1cccc(CC)c1NC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 6.0902 |
logD: | 6.0902 |
logSw: | -5.6412 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.145 |
InChI Key: | CKJLSTCOYVDFPJ-DEOSSOPVSA-N |