7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-4056 |
| Compound Name: | 7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | COc1c2COC(c2c(CSc2ccnc3cc(ccc23)[Cl])c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6528 |
| logD: | 4.644 |
| logSw: | -5.052 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.453 |
| InChI Key: | MIPVRECEPDRVJG-UHFFFAOYSA-N |