N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Formula:C19H12N4O7S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide |
| MolecularFormula | C19H12N4O7S3 |
| Smiles | [O-][N+](c1cccc(/C=C(\C(N2NC(CN(C(c3c4cccc3)=O)S4(=O)=O)=O)=O)/SC2=S)c1)=O |
| InChI | InChI=1S/C19H12N4O7S3/c24-16(10-21-17(25)13-6-1-2-7-15(13)33(21,29)30)20-22-18(26)14(32-19(22)31)9-11-4-3-5-12(8-11)23(27)28/h1-9H,10H2,(H,20,24) |
| InChIK | GPTMYWQENPJGCK-UHFFFAOYSA-N |
| TotalMolweight | 504.523 |
| Molweight | 504.523 |
| MonoisotopicMass | 503.986811 |
| CLogP | -0.6815 |
| CLogS | -4.411 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 332.25 |
| Relative PSA | 0.4881 |
| PolarSurfaceArea | 215.45 |
| Druglikeness | 0.65226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide | 2 - N-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
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