N-(4-fluorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(4-fluorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
Compound ID: | C111-0062 |
Compound Name: | N-(4-fluorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
Molecular Weight: | 482.57 |
Molecular Formula: | C26 H27 F N2 O4 S |
Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)F)=S)OC)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8956 |
logD: | 4.8956 |
logSw: | -4.5483 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.541 |
InChI Key: | AYVHSWAPPNEICH-NRFANRHFSA-N |