2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | F714-1104 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Smiles: | CC(Nc1ccc(C)cc1S(N1CCc2ccccc2C1CC(NCCN1CCCC1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9693 |
| logD: | -0.1863 |
| logSw: | -2.775 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.879 |
| InChI Key: | GOXRMEWUJGYWKY-DEOSSOPVSA-N |