1-(azepan-1-yl)-2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
1-(azepan-1-yl)-2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | F714-0984 |
| Compound Name: | 1-(azepan-1-yl)-2-[2-(4-bromobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C23 H27 Br N2 O3 S |
| Smiles: | C1CCCN(CC1)C(CC1c2ccccc2CCN1S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9781 |
| logD: | 4.9781 |
| logSw: | -4.6889 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.377 |
| InChI Key: | JZTPCQILZBVYGJ-QFIPXVFZSA-N |