ethyl {2-[2-(3-cyanoanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
ethyl {2-[2-(3-cyanoanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
ethyl {2-[2-(3-cyanoanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | E730-1618 |
| Compound Name: | ethyl {2-[2-(3-cyanoanilino)-2-oxoethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H27 N3 O5 |
| Smiles: | CCOC(CC1c2cc(c(cc2CCN1CC(Nc1cccc(C#N)c1)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6079 |
| logD: | 2.5405 |
| logSw: | -3.0707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.96 |
| InChI Key: | USPSDFBZJFBVHG-FQEVSTJZSA-N |