2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | F714-0414 |
| Compound Name: | 2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C25 H25 F N2 O3 S2 |
| Smiles: | CSc1ccc(CNC(CC2c3ccccc3CCN2S(c2ccc(cc2)F)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8061 |
| logD: | 4.806 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.125 |
| InChI Key: | RMPWFWUDURYINX-DEOSSOPVSA-N |