2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(furan-2-yl)methyl]acetamide
2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F714-1053 |
| Compound Name: | 2-[2-(2-acetamido-5-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CC(Nc1ccc(C)cc1S(N1CCc2ccccc2C1CC(NCc1ccco1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0638 |
| logD: | 3.0637 |
| logSw: | -3.4161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.438 |
| InChI Key: | GVUXJWASUHQVJY-QHCPKHFHSA-N |