2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Formula:C21H15N4O4ClS4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is not a drug-like molecule.
| MolName | 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide |
| MolecularFormula | C21H15N4O4ClS4 |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O |
| InChI | InChI=1S/C21H15ClN4O4S4/c22-14-3-1-13(2-4-14)11-17-19(28)26(21(31)33-17)12-18(27)24-15-5-7-16(8-6-15)34(29,30)25-20-23-9-10-32-20/h1-11H,12H2,(H,23,25)(H,24,27) |
| InChIK | CMCQLYZXEZDGQX-UHFFFAOYSA-N |
| TotalMolweight | 551.091 |
| Molweight | 551.091 |
| MonoisotopicMass | 549.966463 |
| CLogP | 2.7199 |
| CLogS | -6.214 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 375.37 |
| Relative PSA | 0.42078 |
| PolarSurfaceArea | 202.48 |
| Druglikeness | 9.0128 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide | 2 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
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