4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)benzamide
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)benzamide
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)benzamide
Compound characteristics
| Compound ID: | 5905-2760 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-(2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)benzamide |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C27 H30 N2 O S |
| Smiles: | Cc1ccccc1CSCCNC(c1ccc(CN2CCc3ccccc3C2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5251 |
| logD: | 5.2445 |
| logSw: | -5.3782 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8877 |
| InChI Key: | IJGLKMSKVDPCAD-UHFFFAOYSA-N |