methyl (6,7-diethoxy-2-{[(4-fluorophenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Chemical Structure Depiction of
methyl (6,7-diethoxy-2-{[(4-fluorophenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
methyl (6,7-diethoxy-2-{[(4-fluorophenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Compound characteristics
| Compound ID: | G525-0068 |
| Compound Name: | methyl (6,7-diethoxy-2-{[(4-fluorophenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate |
| Molecular Weight: | 444.5 |
| Molecular Formula: | C24 H29 F N2 O5 |
| Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6183 |
| logD: | 2.6183 |
| logSw: | -3.0162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.227 |
| InChI Key: | XWBXHEZYOAYSAI-FQEVSTJZSA-N |