ethyl 8-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
ethyl 8-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
ethyl 8-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | D308-0450 |
| Compound Name: | ethyl 8-{[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | CCOC(c1cc2COCOc2c(CSc2nnc3ccc4ccccc4n23)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5233 |
| logD: | 4.5233 |
| logSw: | -4.5413 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.725 |
| InChI Key: | SFLWOVPZQGCKMC-UHFFFAOYSA-N |