(5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C22H15N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C22H15N2OBrS |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c2cccc(Br)c2)N1c1ccccc1 |
| InChI | InChI=1S/C22H15BrN2OS/c23-17-9-7-8-16(14-17)15-20-21(26)25(19-12-5-2-6-13-19)22(27-20)24-18-10-3-1-4-11-18/h1-15H |
| InChIK | CLYDAFHGZPCBHM-UHFFFAOYSA-N |
| TotalMolweight | 435.344 |
| Molweight | 435.344 |
| MonoisotopicMass | 434.008844 |
| CLogP | 5.4032 |
| CLogS | -6.684 |
| H Acceptors | 3 |
| TotalSurfaceArea | 291.13 |
| Relative PSA | 0.1566 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 1.5737 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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