2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C28H22N3O4Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C28H22N3O4Cl2FS |
| Smiles | O=C(CN(Cc(c(F)ccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C28H22Cl2FN3O4S/c29-21-12-14-24(15-13-21)39(36,37)34(18-25-26(30)10-5-11-27(25)31)19-28(35)33-32-17-20-6-4-9-23(16-20)38-22-7-2-1-3-8-22/h1-17H,18-19H2,(H,33,35) |
| InChIK | VVEPRZHGHYZXOC-UHFFFAOYSA-N |
| TotalMolweight | 586.47 |
| Molweight | 586.47 |
| MonoisotopicMass | 585.069209 |
| CLogP | 6.1916 |
| CLogS | -8.028 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 420.1 |
| Relative PSA | 0.186 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 6.0569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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