6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0011 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(3-methylphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Smiles: | Cc1cccc(c1)NC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3375 |
| logD: | 5.3375 |
| logSw: | -5.4203 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.367 |
| InChI Key: | UKBPZHJYZJZERY-DEOSSOPVSA-N |