2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C21H24N3O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H24N3O4FS |
| Smiles | Oc1cccc(/C=N\NC(CN(C2CCCCC2)S(c(cc2)ccc2F)(=O)=O)=O)c1 |
| InChI | InChI=1S/C21H24FN3O4S/c22-17-9-11-20(12-10-17)30(28,29)25(18-6-2-1-3-7-18)15-21(27)24-23-14-16-5-4-8-19(26)13-16/h4-5,8-14,18,26H,1-3,6-7,15H2,(H,24,27) |
| InChIK | ADEPVUFUVHRCHW-UHFFFAOYSA-N |
| TotalMolweight | 433.503 |
| Molweight | 433.503 |
| MonoisotopicMass | 433.147155 |
| CLogP | 3.3759 |
| CLogS | -4.214 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.13 |
| Relative PSA | 0.25377 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | -4.2997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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