N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
Compound ID: | C111-0076 |
Compound Name: | N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
Molecular Weight: | 404.5 |
Molecular Formula: | C21 H25 F N2 O3 S |
Smiles: | CCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5644 |
logD: | 3.5644 |
logSw: | -3.7545 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.043 |
InChI Key: | ZQVJFGVEBMWMJF-SFHVURJKSA-N |