methyl 3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]methyl}benzoate
methyl 3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8016-2843 |
| Compound Name: | methyl 3-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)acetamido]methyl}benzoate |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C20 H22 N2 O3 |
| Smiles: | COC(c1cccc(CNC(CN2CCc3ccccc3C2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.278 |
| logD: | 3.2684 |
| logSw: | -3.3733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.278 |
| InChI Key: | GVJLOTRZPUPBJH-UHFFFAOYSA-N |