N-(4-chlorophenyl)-2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
Formula:C23H23N3O4Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is not a drug-like molecule.
| MolName | N-(4-chlorophenyl)-2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]acetamide |
| MolecularFormula | C23H23N3O4Cl2S2 |
| Smiles | O=C(CC(C(N1C2CCCCC2)=O)S/C1=N/S(c(cc1)ccc1Cl)(=O)=O)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H23Cl2N3O4S2/c24-15-6-10-17(11-7-15)26-21(29)14-20-22(30)28(18-4-2-1-3-5-18)23(33-20)27-34(31,32)19-12-8-16(25)9-13-19/h6-13,18,20H,1-5,14H2,(H,26,29)/t20-/m1/s1 |
| InChIK | LOBUSZDETCLTLO-HXUWFJFHSA-N |
| TotalMolweight | 540.491 |
| Molweight | 540.491 |
| MonoisotopicMass | 539.050701 |
| CLogP | 5.1118 |
| CLogS | -6.535 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 370.72 |
| Relative PSA | 0.26616 |
| PolarSurfaceArea | 129.59 |
| Druglikeness | 2.0164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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 |
Click to Load Molecule:
1 - N-(4-chlorophenyl)-2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]acetamide | 2 - N-(4-chlorophenyl)-2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
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