N-ethyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
Compound ID: | V011-3332 |
Compound Name: | N-ethyl-6,7-dimethoxy-1-{[(4-methylphenyl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
Molecular Weight: | 442.58 |
Molecular Formula: | C23 H30 N4 O3 S |
Smiles: | CCNC(N1CCc2cc(c(cc2C1CNC(Nc1ccc(C)cc1)=O)OC)OC)=S |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4558 |
logD: | 3.4558 |
logSw: | -3.6696 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 60.44 |
InChI Key: | ALIUFKHCJPXWNX-IBGZPJMESA-N |