1-(1-benzofuran-2-yl)-2-[(9-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(1-benzofuran-2-yl)-2-[(9-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
1-(1-benzofuran-2-yl)-2-[(9-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D278-1065 |
| Compound Name: | 1-(1-benzofuran-2-yl)-2-[(9-methoxy-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | Cc1cc2nnc(n2c2c(cccc12)OC)SCC(c1cc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.079 |
| logD: | 5.079 |
| logSw: | -5.7248 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.028 |
| InChI Key: | JGTMDQQAYIZTPX-UHFFFAOYSA-N |