3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
Formula:C22H17N4O4FS4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is not a drug-like molecule.
| MolName | 3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide |
| MolecularFormula | C22H17N4O4FS4 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=S)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O |
| InChI | InChI=1S/C22H17FN4O4S4/c23-15-3-1-14(2-4-15)13-18-20(29)27(22(32)34-18)11-9-19(28)25-16-5-7-17(8-6-16)35(30,31)26-21-24-10-12-33-21/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,28) |
| InChIK | YWAXALCWOCNRPE-UHFFFAOYSA-N |
| TotalMolweight | 548.663 |
| Molweight | 548.663 |
| MonoisotopicMass | 548.011664 |
| CLogP | 2.6691 |
| CLogS | -6.062 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 380.06 |
| Relative PSA | 0.41559 |
| PolarSurfaceArea | 202.48 |
| Druglikeness | 7.5008 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide | 2 - 3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
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