N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3993-1454 |
| Compound Name: | N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 430.36 |
| Molecular Formula: | C20 H20 Br N3 O S |
| Smiles: | CCc1c2CCCCc2c(C#N)c(n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5484 |
| logD: | 5.5483 |
| logSw: | -5.3184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.106 |
| InChI Key: | HKSSNFZEPQVTHM-UHFFFAOYSA-N |