N-ethyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0039 |
| Compound Name: | N-ethyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4067 |
| logD: | 3.4067 |
| logSw: | -3.6493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.76 |
| InChI Key: | BJGHTOURUZXTCQ-KRWDZBQOSA-N |