| MolName | (Z)-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C23H13N3OClF5S |
| Smiles | FC(Oc(cc1)ccc1C(N1N=Cc(c(F)ccc2)c2Cl)=CS/C1=N\c(ccc(F)c1)c1F)F |
| InChI | InChI=1S/C23H13ClF5N3OS/c24-17-2-1-3-18(26)16(17)11-30-32-21(13-4-7-15(8-5-13)33-22(28)29)12-34-23(32)31-20-9-6-14(25)10-19(20)27/h1-12,22H |
| InChIK | CIEHNIZQNKYZKS-UHFFFAOYSA-N |
| TotalMolweight | 509.885 |
| Molweight | 509.885 |
| MonoisotopicMass | 509.038799 |
| CLogP | 6.4419 |
| CLogS | -7.934 |
| H Acceptors | 4 |
| TotalSurfaceArea | 349.18 |
| Relative PSA | 0.15482 |
| PolarSurfaceArea | 62.49 |
| Druglikeness | 1.0425 |
| 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 | 3 |
| StereoCon |
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1 - (Z)-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine