| MolName | (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(2-chloro-6-fluorophenyl)methoxy]methanimine |
| MolecularFormula | C19H12N3OBrClFS |
| Smiles | Fc1cccc(Cl)c1CO/N=C\c1c(-c(cc2)ccc2Br)nc2sccn12 |
| InChI | InChI=1S/C19H12BrClFN3OS/c20-13-6-4-12(5-7-13)18-17(25-8-9-27-19(25)24-18)10-23-26-11-14-15(21)2-1-3-16(14)22/h1-10H,11H2 |
| InChIK | NABYAKOTMQZTBT-UHFFFAOYSA-N |
| TotalMolweight | 464.745 |
| Molweight | 464.745 |
| MonoisotopicMass | 462.955698 |
| CLogP | 6.1451 |
| CLogS | -6.079 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.65 |
| Relative PSA | 0.20152 |
| PolarSurfaceArea | 67.13 |
| Druglikeness | -0.68847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(2-chloro-6-fluorophenyl)methoxy]methanimine | 2 - (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(2-chloro-6-fluorophenyl)methoxy]methanimine