6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0008 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C28 H32 N2 O4 S |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(NCCc1ccccc1)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7261 |
| logD: | 4.7261 |
| logSw: | -4.4628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.531 |
| InChI Key: | AVVKJPMBRCYMFI-VWLOTQADSA-N |