N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3993-1401 |
| Compound Name: | N-(4-bromophenyl)-2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 478.41 |
| Molecular Formula: | C24 H20 Br N3 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(nc2c1ccccc1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3954 |
| logD: | 6.3953 |
| logSw: | -6.0246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.339 |
| InChI Key: | ACSAJXQQILEWAS-UHFFFAOYSA-N |