N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide
Formula:C24H18N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide |
| MolecularFormula | C24H18N4O4S |
| Smiles | [O-][N+](c1cccc(/C=C(\C(N2NC(Cc3ccccc3)=O)=O)/S/C2=N\c2ccccc2)c1)=O |
| InChI | InChI=1S/C24H18N4O4S/c29-22(16-17-8-3-1-4-9-17)26-27-23(30)21(15-18-10-7-13-20(14-18)28(31)32)33-24(27)25-19-11-5-2-6-12-19/h1-15H,16H2,(H,26,29) |
| InChIK | USTUFFQDAOTXOH-UHFFFAOYSA-N |
| TotalMolweight | 458.497 |
| Molweight | 458.497 |
| MonoisotopicMass | 458.104876 |
| CLogP | 2.3334 |
| CLogS | -5.976 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 339.14 |
| Relative PSA | 0.29637 |
| PolarSurfaceArea | 132.89 |
| Druglikeness | -0.62107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide | 2 - N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide
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