2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F714-0987 |
| Compound Name: | 2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 Br N2 O3 S |
| Smiles: | C1CCN(C1)C(CC1c2ccccc2CCN1S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2632 |
| logD: | 4.2632 |
| logSw: | -4.1848 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.412 |
| InChI Key: | XANCTSXEIVDSMM-FQEVSTJZSA-N |