(Z)-1-[6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Formula:C20H14N3OCl3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C20H14N3OCl3S2 |
| Smiles | Clc1ccc(CSc2c(/C=N\OCc(cc3)cc(Cl)c3Cl)n(ccs3)c3n2)cc1 |
| InChI | InChI=1S/C20H14Cl3N3OS2/c21-15-4-1-13(2-5-15)12-29-19-18(26-7-8-28-20(26)25-19)10-24-27-11-14-3-6-16(22)17(23)9-14/h1-10H,11-12H2 |
| InChIK | HGQNVNLQBDMOOJ-UHFFFAOYSA-N |
| TotalMolweight | 482.842 |
| Molweight | 482.842 |
| MonoisotopicMass | 480.964383 |
| CLogP | 6.8397 |
| CLogS | -6.817 |
| H Acceptors | 4 |
| TotalSurfaceArea | 338.76 |
| Relative PSA | 0.23108 |
| PolarSurfaceArea | 92.43 |
| Druglikeness | 2.5345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off