2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F714-1110 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(2-methylphenyl)methyl]acetamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | CC(Nc1ccc(C)cc1S(N1CCc2ccccc2C1CC(NCc1ccccc1C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2011 |
| logD: | 4.201 |
| logSw: | -4.1367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.689 |
| InChI Key: | LKIRSLSROMRIAG-SANMLTNESA-N |