| MolName | (Z)-4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C25H18N3ClF2S |
| Smiles | Fc(cc1)cc(F)c1/N=C1\SC=C(c(cc2)ccc2Cl)N1/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C25H18ClF2N3S/c26-18-10-8-17(9-11-18)24-15-32-25(29-23-13-12-19(27)14-21(23)28)31(24)30-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-15H,3,5,7H2 |
| InChIK | MLRZPJCHCAXGCY-UHFFFAOYSA-N |
| TotalMolweight | 465.954 |
| Molweight | 465.954 |
| MonoisotopicMass | 465.0878 |
| CLogP | 6.8444 |
| CLogS | -7.947 |
| H Acceptors | 3 |
| TotalSurfaceArea | 333.62 |
| Relative PSA | 0.13207 |
| PolarSurfaceArea | 53.26 |
| Druglikeness | -0.94744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (Z)-4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-1,3-thiazol-2-imine