2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C20H16N3O4Cl2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C20H16N3O4Cl2FS |
| Smiles | O=C(CN(Cc(c(F)ccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H16Cl2FN3O4S/c21-14-6-8-16(9-7-14)31(28,29)26(12-17-18(22)4-1-5-19(17)23)13-20(27)25-24-11-15-3-2-10-30-15/h1-11H,12-13H2,(H,25,27) |
| InChIK | OOZNOKOBOYHOMO-UHFFFAOYSA-N |
| TotalMolweight | 484.334 |
| Molweight | 484.334 |
| MonoisotopicMass | 483.022259 |
| CLogP | 3.9847 |
| CLogS | -5.413 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.03 |
| Relative PSA | 0.24189 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 6.0523 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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