2-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
Formula:C23H24N3O4BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is not a drug-like molecule.
| MolName | 2-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide |
| MolecularFormula | C23H24N3O4BrS2 |
| Smiles | O=C(CC(C(N1C2CCCCC2)=O)S/C1=N/S(c(cc1)ccc1Br)(=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C23H24BrN3O4S2/c24-16-11-13-19(14-12-16)33(30,31)26-23-27(18-9-5-2-6-10-18)22(29)20(32-23)15-21(28)25-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15H2,(H,25,28)/t20-/m1/s1 |
| InChIK | GEWAAHVNLKLHLU-HXUWFJFHSA-N |
| TotalMolweight | 550.497 |
| Molweight | 550.497 |
| MonoisotopicMass | 549.039158 |
| CLogP | 4.625 |
| CLogS | -5.897 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 358.51 |
| Relative PSA | 0.27522 |
| PolarSurfaceArea | 129.59 |
| Druglikeness | -2.4736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 2-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide | 2 - 2-[(2E)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
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