7-{[(isoquinolin-1-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-{[(isoquinolin-1-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-{[(isoquinolin-1-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-6009 |
| Compound Name: | 7-{[(isoquinolin-1-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | COc1c2COC(c2c(CSc2c3ccccc3ccn2)c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9177 |
| logD: | 3.9176 |
| logSw: | -4.0514 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.598 |
| InChI Key: | JZOPWNBPKKVOSE-UHFFFAOYSA-N |