2-[(isoquinolin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(isoquinolin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(isoquinolin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
Compound ID: | 8019-8903 |
Compound Name: | 2-[(isoquinolin-1-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide |
Molecular Weight: | 338.43 |
Molecular Formula: | C19 H18 N2 O2 S |
Smiles: | COc1ccc(CNC(CSc2c3ccccc3ccn2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.3366 |
logD: | 3.3365 |
logSw: | -3.3815 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.89 |
InChI Key: | WNELSMDSBNAZAI-UHFFFAOYSA-N |