(2E)-3-benzyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C17H14N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-benzyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-benzyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H14N3OClS |
| Smiles | O=C(CS1)N(Cc2ccccc2)/C1=N\N=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H14ClN3OS/c18-15-8-6-13(7-9-15)10-19-20-17-21(16(22)12-23-17)11-14-4-2-1-3-5-14/h1-10H,11-12H2 |
| InChIK | KSWJKCPQPKSZQX-UHFFFAOYSA-N |
| TotalMolweight | 343.837 |
| Molweight | 343.837 |
| MonoisotopicMass | 343.054609 |
| CLogP | 4.8457 |
| CLogS | -5.208 |
| H Acceptors | 4 |
| TotalSurfaceArea | 255.73 |
| Relative PSA | 0.22328 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 5.148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-benzyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-benzyl-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
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