6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0001 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-methyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | CNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0963 |
| logD: | 3.0963 |
| logSw: | -3.3654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.111 |
| InChI Key: | BJFHAJVFRVWDQJ-SFHVURJKSA-N |