methyl {2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
methyl {2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
methyl {2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | G525-0056 |
| Compound Name: | methyl {2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C24 H29 Br N2 O5 |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0013 |
| logD: | 4.0013 |
| logSw: | -4.0976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.905 |
| InChI Key: | QWQRXKMVGYGNIY-FQEVSTJZSA-N |