4-[(Z)-[4-(1-benzofuran-2-yl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C26H15N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[4-(1-benzofuran-2-yl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[4-(1-benzofuran-2-yl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C26H15N4OF3S |
| Smiles | N#Cc1ccc(/C=N\N(C(c2cc(cccc3)c3o2)=CS2)/C2=N/c2c(C(F)(F)F)cccc2)cc1 |
| InChI | InChI=1S/C26H15F3N4OS/c27-26(28,29)20-6-2-3-7-21(20)32-25-33(31-15-18-11-9-17(14-30)10-12-18)22(16-35-25)24-13-19-5-1-4-8-23(19)34-24/h1-13,15-16H |
| InChIK | NSMMSESKXOJSJS-UHFFFAOYSA-N |
| TotalMolweight | 488.492 |
| Molweight | 488.492 |
| MonoisotopicMass | 488.091865 |
| CLogP | 6.5536 |
| CLogS | -8.368 |
| H Acceptors | 5 |
| TotalSurfaceArea | 354.97 |
| Relative PSA | 0.20207 |
| PolarSurfaceArea | 90.19 |
| Druglikeness | -7.6145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-[(Z)-[4-(1-benzofuran-2-yl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile | 2 - 4-[(Z)-[4-(1-benzofuran-2-yl)-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
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