(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C26H17N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C26H17N3O4S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=C(\C(N2c3ccccc3)=O)/S/C2=N\c2ccccc2)o1)=O |
| InChI | InChI=1S/C26H17N3O4S/c30-25-24(17-22-15-16-23(33-22)18-11-13-21(14-12-18)29(31)32)34-26(27-19-7-3-1-4-8-19)28(25)20-9-5-2-6-10-20/h1-17H |
| InChIK | JAGGBRQTZLQKLP-UHFFFAOYSA-N |
| TotalMolweight | 467.504 |
| Molweight | 467.504 |
| MonoisotopicMass | 467.093977 |
| CLogP | 4.6953 |
| CLogS | -7.77 |
| H Acceptors | 7 |
| TotalSurfaceArea | 345.62 |
| Relative PSA | 0.26075 |
| PolarSurfaceArea | 116.93 |
| Druglikeness | -0.75614 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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