N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-2-(4-chlorophenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-2-(4-chlorophenyl)quinoline-4-carboxamide
N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-2-(4-chlorophenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-1490 |
| Compound Name: | N-{[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}-2-(4-chlorophenyl)quinoline-4-carboxamide |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C24 H19 Cl N6 O3 S2 |
| Smiles: | c1ccc2c(c1)c(cc(c1ccc(cc1)[Cl])n2)C(NC(Nc1ccc(cc1)S(NC(N)=N)(=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2498 |
| logD: | 4.2498 |
| logSw: | -4.6841 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 121.873 |
| InChI Key: | IRDDXZIJZSVJLI-UHFFFAOYSA-N |