6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0036 |
| Compound Name: | 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C26 H27 N3 O6 S |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)[N+]([O-])=O)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9032 |
| logD: | 4.9032 |
| logSw: | -4.5955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.749 |
| InChI Key: | XUTXJULVWVPYTK-QHCPKHFHSA-N |