(2E)-2-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
Formula:C25H21N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)-N-phenylacetamide is a drug-like molecule.
| MolName | (2E)-2-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)-N-phenylacetamide |
| MolecularFormula | C25H21N3O2S |
| Smiles | O=C(/C=C(\C(N1Cc2ccccc2)=O)/S/C1=N\Cc1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C25H21N3O2S/c29-23(27-21-14-8-3-9-15-21)16-22-24(30)28(18-20-12-6-2-7-13-20)25(31-22)26-17-19-10-4-1-5-11-19/h1-16H,17-18H2,(H,27,29) |
| InChIK | NBFICYHFIYDBMG-UHFFFAOYSA-N |
| TotalMolweight | 427.527 |
| Molweight | 427.527 |
| MonoisotopicMass | 427.135447 |
| CLogP | 3.9746 |
| CLogS | -5.235 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.23 |
| Relative PSA | 0.21289 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 3.7227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (2E)-2-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)-N-phenylacetamide | 2 - (2E)-2-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
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