2-{4-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
2-{4-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D308-0210 |
| Compound Name: | 2-{4-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C22 H18 N4 O2 S |
| Smiles: | C(CCSc1nnc2ccc3ccccc3n12)CN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9348 |
| logD: | 3.9347 |
| logSw: | -4.1368 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.585 |
| InChI Key: | JFHQENFTDQAHJE-UHFFFAOYSA-N |