6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0021 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C27 H30 N2 O5 S |
| Smiles: | COc1ccc(cc1)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9599 |
| logD: | 4.9599 |
| logSw: | -4.5776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.911 |
| InChI Key: | JADOGVKZCRUUTH-DEOSSOPVSA-N |