(2E)-3-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C17H14N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H14N4O3S |
| Smiles | [O-][N+](c1cccc(/C=N\N=C(/N2Cc3ccccc3)\SCC2=O)c1)=O |
| InChI | InChI=1S/C17H14N4O3S/c22-16-12-25-17(20(16)11-13-5-2-1-3-6-13)19-18-10-14-7-4-8-15(9-14)21(23)24/h1-10H,11-12H2 |
| InChIK | RHYHVMDKWMWZFX-UHFFFAOYSA-N |
| TotalMolweight | 354.389 |
| Molweight | 354.389 |
| MonoisotopicMass | 354.078661 |
| CLogP | 3.3181 |
| CLogS | -4.932 |
| H Acceptors | 7 |
| TotalSurfaceArea | 263.98 |
| Relative PSA | 0.33154 |
| PolarSurfaceArea | 116.15 |
| Druglikeness | 2.71E-04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-3-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-benzyl-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
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