{4-[(2H-1,3-benzodioxol-5-yl)amino]-6-fluoroquinolin-3-yl}(thiomorpholin-4-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)amino]-6-fluoroquinolin-3-yl}(thiomorpholin-4-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)amino]-6-fluoroquinolin-3-yl}(thiomorpholin-4-yl)methanone
Compound characteristics
| Compound ID: | F080-0688 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)amino]-6-fluoroquinolin-3-yl}(thiomorpholin-4-yl)methanone |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C21 H18 F N3 O3 S |
| Smiles: | C1CSCCN1C(c1cnc2ccc(cc2c1Nc1ccc2c(c1)OCO2)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2722 |
| logD: | 3.27 |
| logSw: | -3.3835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.371 |
| InChI Key: | TZCHWPBVRSXIMP-UHFFFAOYSA-N |