methyl 8-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
methyl 8-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
methyl 8-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | D308-0449 |
| Compound Name: | methyl 8-{[(5-methyl[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: | Cc1cc2nnc(n2c2ccccc12)SCc1cc(cc2COCOc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.521 |
| logD: | 4.521 |
| logSw: | -4.3847 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.145 |
| InChI Key: | ZWZISCMAYWOGHQ-UHFFFAOYSA-N |