2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F714-1079 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C27 H28 F N3 O4 S |
| Smiles: | CC(Nc1ccc(C)cc1S(N1CCc2ccccc2C1CC(NCc1ccc(cc1)F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3423 |
| logD: | 3.3421 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.689 |
| InChI Key: | QIBLXHGGCDKZQR-VWLOTQADSA-N |