ethyl {2-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
ethyl {2-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
ethyl {2-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | E730-1645 |
| Compound Name: | ethyl {2-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 446.93 |
| Molecular Formula: | C23 H27 Cl N2 O5 |
| Smiles: | CCOC(CC1c2cc(c(cc2CCN1CC(Nc1cccc(c1)[Cl])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5005 |
| logD: | 3.4234 |
| logSw: | -3.6689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.904 |
| InChI Key: | QBDCQVNJVGLYCP-IBGZPJMESA-N |