| MolName | (Z)-1-(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C20H15N3OCl2S2 |
| Smiles | Clc1cc(Cl)c(CO/N=C\c(n(ccs2)c2n2)c2SCc2ccccc2)cc1 |
| InChI | InChI=1S/C20H15Cl2N3OS2/c21-16-7-6-15(17(22)10-16)12-26-23-11-18-19(24-20-25(18)8-9-27-20)28-13-14-4-2-1-3-5-14/h1-11H,12-13H2 |
| InChIK | XCIIFZMZOXFJEN-UHFFFAOYSA-N |
| TotalMolweight | 448.397 |
| Molweight | 448.397 |
| MonoisotopicMass | 447.003356 |
| CLogP | 6.2337 |
| CLogS | -6.081 |
| H Acceptors | 4 |
| TotalSurfaceArea | 323.34 |
| Relative PSA | 0.2421 |
| PolarSurfaceArea | 92.43 |
| Druglikeness | 2.5345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2,4-dichlorophenyl)methoxy]methanimine