7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 8019-8936 |
| Compound Name: | 7-{[(7-chloroquinolin-4-yl)sulfanyl]methyl}-4,5,6-triethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 473.97 |
| Molecular Formula: | C24 H24 Cl N O5 S |
| Smiles: | CCOc1c2COC(c2c(CSc2ccnc3cc(ccc23)[Cl])c(c1OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9947 |
| logD: | 5.9859 |
| logSw: | -6.2735 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.193 |
| InChI Key: | CDLZHEKFUCJZSY-UHFFFAOYSA-N |