methyl {2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | G525-0028 |
| Compound Name: | methyl {2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C23 H27 Br N2 O5 |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(Nc1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4855 |
| logD: | 3.4855 |
| logSw: | -3.5887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.208 |
| InChI Key: | YGICGXJSPBYCDA-IBGZPJMESA-N |