2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-ethylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-ethylphenyl)methyl]acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-ethylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F714-1112 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-ethylphenyl)methyl]acetamide |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C29 H33 N3 O4 S |
| Smiles: | CCc1ccc(CNC(CC2c3ccccc3CCN2S(c2cc(C)ccc2NC(C)=O)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2439 |
| logD: | 4.2437 |
| logSw: | -4.0747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.689 |
| InChI Key: | NUGHCFROIHQCHR-MHZLTWQESA-N |