methyl {2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
Compound ID: | G525-0017 |
Compound Name: | methyl {2-[(2-chloro-4-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
Molecular Weight: | 460.96 |
Molecular Formula: | C24 H29 Cl N2 O5 |
Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(Nc1ccc(C)cc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9466 |
logD: | 3.9466 |
logSw: | -4.2759 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.208 |
InChI Key: | KDRWIBJNDNSVAT-FQEVSTJZSA-N |