N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0059 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C28 H32 N2 O6 S |
| Smiles: | COc1ccc(c(c1)NC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8936 |
| logD: | 4.8936 |
| logSw: | -4.5448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.017 |
| InChI Key: | ZKMJHBYJTRXLLA-QFIPXVFZSA-N |