2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(butan-2-yl)acetamide
Chemical Structure Depiction of
2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(butan-2-yl)acetamide
2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | F714-0969 |
| Compound Name: | 2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(butan-2-yl)acetamide |
| Molecular Weight: | 465.41 |
| Molecular Formula: | C21 H25 Br N2 O3 S |
| Smiles: | CCC(C)NC(CC1c2ccccc2CCN1S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6507 |
| logD: | 4.6507 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.838 |
| InChI Key: | CZARETOEIQKKKK-UHFFFAOYSA-N |