N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
Chemical Structure Depiction of
N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
Compound characteristics
| Compound ID: | G751-4444 |
| Compound Name: | N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C21 H17 Cl N4 O3 S2 |
| Smiles: | CCOc1ccc(cc1)C(Nc1nnc(SCC2=CC(c3cccc(c3N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1591 |
| logD: | 4.8985 |
| logSw: | -5.4052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.63 |
| InChI Key: | GCFFDPINHSPFLI-UHFFFAOYSA-N |