| MolName | (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine |
| MolecularFormula | C26H19N3OF2S |
| Smiles | Fc1cccc(F)c1/C=N\N(C(c1cc(cccc2)c2o1)=CS1)/C1=N/CCc1ccccc1 |
| InChI | InChI=1S/C26H19F2N3OS/c27-21-10-6-11-22(28)20(21)16-30-31-23(25-15-19-9-4-5-12-24(19)32-25)17-33-26(31)29-14-13-18-7-2-1-3-8-18/h1-12,15-17H,13-14H2 |
| InChIK | FXOUVADBFKLLFL-UHFFFAOYSA-N |
| TotalMolweight | 459.519 |
| Molweight | 459.519 |
| MonoisotopicMass | 459.121688 |
| CLogP | 6.6054 |
| CLogS | -7.718 |
| H Acceptors | 4 |
| TotalSurfaceArea | 344.02 |
| Relative PSA | 0.16909 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 3.2582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-N-(2-phenylethyl)-1,3-thiazol-2-imine