(NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
Formula:C21H20N2O2BrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide |
| MolecularFormula | C21H20N2O2BrFS2 |
| Smiles | O=S(c(cc1)ccc1F)(/N=C1/SC=C(c(cc2)ccc2Br)N1C1CCCCC1)=O |
| InChI | InChI=1S/C21H20BrFN2O2S2/c22-16-8-6-15(7-9-16)20-14-28-21(25(20)18-4-2-1-3-5-18)24-29(26,27)19-12-10-17(23)11-13-19/h6-14,18H,1-5H2 |
| InChIK | VVEDZUBPZDADKB-UHFFFAOYSA-N |
| TotalMolweight | 495.436 |
| Molweight | 495.436 |
| MonoisotopicMass | 494.013357 |
| CLogP | 5.8498 |
| CLogS | -6.273 |
| H Acceptors | 4 |
| TotalSurfaceArea | 316.35 |
| Relative PSA | 0.19324 |
| PolarSurfaceArea | 83.42 |
| Druglikeness | -6.67 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide | 2 - (NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
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