| MolName | (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C23H13N3OF6S |
| Smiles | FC(Oc(cc1)ccc1C(N1N=Cc(c(F)ccc2)c2F)=CS/C1=N\c(ccc(F)c1)c1F)F |
| InChI | InChI=1S/C23H13F6N3OS/c24-14-6-9-20(19(27)10-14)31-23-32(30-11-16-17(25)2-1-3-18(16)26)21(12-34-23)13-4-7-15(8-5-13)33-22(28)29/h1-12,22H |
| InChIK | LGVPCOMMFCGRLX-UHFFFAOYSA-N |
| TotalMolweight | 493.43 |
| Molweight | 493.43 |
| MonoisotopicMass | 493.06835 |
| CLogP | 5.9367 |
| CLogS | -7.512 |
| H Acceptors | 4 |
| TotalSurfaceArea | 340.11 |
| Relative PSA | 0.15895 |
| PolarSurfaceArea | 62.49 |
| Druglikeness | 1.0162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-1,3-thiazol-2-imine