N-ethyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0002 |
| Compound Name: | N-ethyl-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5177 |
| logD: | 3.5177 |
| logSw: | -3.7065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.587 |
| InChI Key: | MHZNJDBWTKWSNO-IBGZPJMESA-N |