N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
Compound characteristics
| Compound ID: | F714-0479 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C26 H26 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCc2ccccc2C1CC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3942 |
| logD: | 4.3942 |
| logSw: | -4.2019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.24 |
| InChI Key: | BGYZWDADGLTDQL-QHCPKHFHSA-N |