N-[4-(carbamoylsulfamoyl)phenyl]-3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
Formula:C20H17N4O5FS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[4-(carbamoylsulfamoyl)phenyl]-3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide is not a drug-like molecule.
| MolName | N-[4-(carbamoylsulfamoyl)phenyl]-3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide |
| MolecularFormula | C20H17N4O5FS3 |
| Smiles | NC(NS(c(cc1)ccc1NC(CCN(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=S)=O)(=O)=O)=O |
| InChI | InChI=1S/C20H17FN4O5S3/c21-13-3-1-12(2-4-13)11-16-18(27)25(20(31)32-16)10-9-17(26)23-14-5-7-15(8-6-14)33(29,30)24-19(22)28/h1-8,11H,9-10H2,(H,23,26)(H3,22,24,28) |
| InChIK | ISJSSZVLKRNZQO-UHFFFAOYSA-N |
| TotalMolweight | 508.574 |
| Molweight | 508.574 |
| MonoisotopicMass | 508.034509 |
| CLogP | 1.3043 |
| CLogS | -5.094 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 351.87 |
| Relative PSA | 0.4403 |
| PolarSurfaceArea | 204.44 |
| Druglikeness | 7.9598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 4 |
| StereoCon |
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1 - N-[4-(carbamoylsulfamoyl)phenyl]-3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide | 2 - N-[4-(carbamoylsulfamoyl)phenyl]-3-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
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