N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0054 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 506.66 |
| Molecular Formula: | C29 H34 N2 O4 S |
| Smiles: | CCc1cccc(C)c1NC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6971 |
| logD: | 5.6971 |
| logSw: | -5.5375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.145 |
| InChI Key: | PVCZNXMXPOLZMQ-QHCPKHFHSA-N |