4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
Chemical Structure Depiction of
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
Compound characteristics
| Compound ID: | 5905-2754 |
| Compound Name: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C26 H28 N2 O S |
| Smiles: | Cc1ccc(cc1)SCCNC(c1ccc(CN2CCc3ccccc3C2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0264 |
| logD: | 4.7458 |
| logSw: | -4.4701 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8877 |
| InChI Key: | QNYSXKFFXNCLHC-UHFFFAOYSA-N |