N~1~-[2-(methylsulfanyl)phenyl]-N~2~-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]ethanediamide
Chemical Structure Depiction of
N~1~-[2-(methylsulfanyl)phenyl]-N~2~-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]ethanediamide
N~1~-[2-(methylsulfanyl)phenyl]-N~2~-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]ethanediamide
Compound characteristics
| Compound ID: | F936-0383 |
| Compound Name: | N~1~-[2-(methylsulfanyl)phenyl]-N~2~-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(pyrrolidin-1-yl)ethyl]ethanediamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | CN1CCCc2cc(ccc12)C(CNC(C(Nc1ccccc1SC)=O)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.547 |
| logD: | 1.0887 |
| logSw: | -2.998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.222 |
| InChI Key: | XWRMMBXSAKOUSA-QFIPXVFZSA-N |