| MolName | (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C24H15N3O3F4S |
| Smiles | FC(Oc(cc1)ccc1C(N1/N=C\c(cc2)cc3c2OCO3)=CS/C1=N\c(ccc(F)c1)c1F)F |
| InChI | InChI=1S/C24H15F4N3O3S/c25-16-4-7-19(18(26)10-16)30-24-31(29-11-14-1-8-21-22(9-14)33-13-32-21)20(12-35-24)15-2-5-17(6-3-15)34-23(27)28/h1-12,23H,13H2 |
| InChIK | MXNXGROMQPYEIP-UHFFFAOYSA-N |
| TotalMolweight | 501.459 |
| Molweight | 501.459 |
| MonoisotopicMass | 501.077024 |
| CLogP | 5.8465 |
| CLogS | -7.595 |
| H Acceptors | 6 |
| TotalSurfaceArea | 347.67 |
| Relative PSA | 0.21302 |
| PolarSurfaceArea | 80.95 |
| Druglikeness | 0.9465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[4-(difluoromethoxy)phenyl]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine