(4E)-5-anilino-4-[(E)-(5-anilino-3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-3-benzyl-1,3-thiazolidin-2-one
Formula:C32H28N6O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-anilino-4-[(E)-(5-anilino-3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-3-benzyl-1,3-thiazolidin-2-one is not a drug-like molecule.
| MolName | (4E)-5-anilino-4-[(E)-(5-anilino-3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-3-benzyl-1,3-thiazolidin-2-one |
| MolecularFormula | C32H28N6O2S2 |
| Smiles | O=C(N(Cc1ccccc1)/C1=N/N=C(\C(Nc2ccccc2)S2)/N(Cc3ccccc3)C2=O)SC1Nc1ccccc1 |
| InChI | InChI=1S/C32H28N6O2S2/c39-31-37(21-23-13-5-1-6-14-23)27(29(41-31)33-25-17-9-3-10-18-25)35-36-28-30(34-26-19-11-4-12-20-26)42-32(40)38(28)22-24-15-7-2-8-16-24/h1-20,29-30,33-34H,21-22H2 |
| InChIK | NOMGUMFSCACRHD-UHFFFAOYSA-N |
| TotalMolweight | 592.746 |
| Molweight | 592.746 |
| MonoisotopicMass | 592.171514 |
| CLogP | 7.5928 |
| CLogS | -7.072 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 438 |
| Relative PSA | 0.2605 |
| PolarSurfaceArea | 140 |
| Druglikeness | 4.707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.38095 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 25 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4E)-5-anilino-4-[(E)-(5-anilino-3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-3-benzyl-1,3-thiazolidin-2-one | 2 - (4E)-5-anilino-4-[(E)-(5-anilino-3-benzyl-2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-3-benzyl-1,3-thiazolidin-2-one
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