3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinoxalin-2(1H)-one
3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-6528 |
| Compound Name: | 3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinoxalin-2(1H)-one |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C20 H18 N2 O6 S |
| Smiles: | COc1c2COC(c2c(CSC2C(Nc3ccccc3N=2)=O)c(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5978 |
| logD: | 2.5978 |
| logSw: | -3.0961 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.096 |
| InChI Key: | AOYSJQUPTGIJQQ-UHFFFAOYSA-N |