| MolName | 2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide |
| MolecularFormula | C24H17N2O2Cl3 |
| Smiles | CCN(c1c2cccc1)C(NC(c(ccc(Cl)c1)c1Cl)=O)=C(c(cc1)ccc1Cl)C2=O |
| InChI | InChI=1S/C24H17Cl3N2O2/c1-2-29-20-6-4-3-5-18(20)22(30)21(14-7-9-15(25)10-8-14)23(29)28-24(31)17-12-11-16(26)13-19(17)27/h3-13H,2H2,1H3,(H,28,31) |
| InChIK | UFPGYVIJCASLLV-UHFFFAOYSA-N |
| TotalMolweight | 471.77 |
| Molweight | 471.77 |
| MonoisotopicMass | 470.035559 |
| CLogP | 6.3409 |
| CLogS | -8.576 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 331.74 |
| Relative PSA | 0.12386 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.849 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide | 2 - 2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide