N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorobenzene-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-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
Compound characteristics
| Compound ID: | F714-0313 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C25 H23 F N2 O5 S |
| Smiles: | C1CN(C(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc12)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9998 |
| logD: | 3.9998 |
| logSw: | -4.1456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.24 |
| InChI Key: | BZPDBZHOLUVAEU-QFIPXVFZSA-N |