N-[2-(benzylsulfanyl)ethyl]-4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamide
N-[2-(benzylsulfanyl)ethyl]-4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 5905-2752 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamide |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C26 H28 N2 O S |
| Smiles: | C1CN(Cc2ccc(cc2)C(NCCSCc2ccccc2)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.567 |
| logD: | 4.2864 |
| logSw: | -4.434 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8877 |
| InChI Key: | LLJRWEPLWXGDEW-UHFFFAOYSA-N |