2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C28H30N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C28H30N3O4FS |
| Smiles | O=C(CN(C1CCCCC1)S(c(cc1)ccc1F)(=O)=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C28H30FN3O4S/c29-24-14-16-27(17-15-24)37(34,35)32(25-11-5-2-6-12-25)20-28(33)31-30-19-23-10-7-13-26(18-23)36-21-22-8-3-1-4-9-22/h1,3-4,7-10,13-19,25H,2,5-6,11-12,20-21H2,(H,31,33) |
| InChIK | PNJKPOUJSGTIOK-UHFFFAOYSA-N |
| TotalMolweight | 523.627 |
| Molweight | 523.627 |
| MonoisotopicMass | 523.194105 |
| CLogP | 5.0697 |
| CLogS | -5.851 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 397.3 |
| Relative PSA | 0.19668 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -9.7916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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