N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0060 |
| Compound Name: | N-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C28 H32 N2 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2355 |
| logD: | 5.2355 |
| logSw: | -5.0937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.664 |
| InChI Key: | XWPFOTOTUACDDL-QHCPKHFHSA-N |