methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | 8264-0673 |
| Compound Name: | methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | COC(c1ccc(cc1)NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5334 |
| logD: | 4.2487 |
| logSw: | -4.1332 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.898 |
| InChI Key: | MBEKPPFVFLZHOP-UHFFFAOYSA-N |