| MolName | 5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C24H16N3O4Cl2F |
| Smiles | O=C(COc(ccc(/C=N\NC(c1cc(cc(cc2)Cl)c2o1)=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C24H16Cl2FN3O4/c25-16-6-8-20-15(10-16)11-22(34-20)24(32)30-28-12-14-5-7-21(17(26)9-14)33-13-23(31)29-19-4-2-1-3-18(19)27/h1-12H,13H2,(H,29,31)(H,30,32) |
| InChIK | GIJXYOOVYPHUNP-UHFFFAOYSA-N |
| TotalMolweight | 500.312 |
| Molweight | 500.312 |
| MonoisotopicMass | 499.050189 |
| CLogP | 5.7424 |
| CLogS | -7.982 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 361.2 |
| Relative PSA | 0.23427 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 3.8289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide | 2 - 5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide