N-(5-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(5-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
N-(5-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | G751-4742 |
| Compound Name: | N-(5-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C20 H15 F N4 O2 S2 |
| Smiles: | Cc1ccccc1C(Nc1nnc(SCC2=CC(c3cccc(c3N2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4411 |
| logD: | 4.1805 |
| logSw: | -4.4229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.507 |
| InChI Key: | BHACWFIIBXIUTP-UHFFFAOYSA-N |