| MolName | (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine |
| MolecularFormula | C20H13N3OBrF3S |
| Smiles | FC(c1ccc(CO/N=C\c2c(-c(cc3)ccc3Br)nc3sccn23)cc1)(F)F |
| InChI | InChI=1S/C20H13BrF3N3OS/c21-16-7-3-14(4-8-16)18-17(27-9-10-29-19(27)26-18)11-25-28-12-13-1-5-15(6-2-13)20(22,23)24/h1-11H,12H2 |
| InChIK | SZUDYDVXHCXXIH-UHFFFAOYSA-N |
| TotalMolweight | 480.307 |
| Molweight | 480.307 |
| MonoisotopicMass | 478.991477 |
| CLogP | 6.2866 |
| CLogS | -5.807 |
| H Acceptors | 4 |
| TotalSurfaceArea | 309.34 |
| Relative PSA | 0.19652 |
| PolarSurfaceArea | 67.13 |
| Druglikeness | -6.5958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine | 2 - (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine