ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | 5905-2737 |
| Compound Name: | ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C26 H26 N2 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0441 |
| logD: | 4.7594 |
| logSw: | -4.4551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.478 |
| InChI Key: | PFNLTXPEWXUGPM-UHFFFAOYSA-N |