N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | M648-0675 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C21 H21 F N2 O2 S |
| Smiles: | COc1c2c(cccc2sc1C(NCCN1CCc2ccccc2C1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.0001 |
| logD: | 3.7915 |
| logSw: | -4.2576 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.602 |
| InChI Key: | CETMYAQSEZXMBX-UHFFFAOYSA-N |