(Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine
Formula:C21H15N3O2BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine |
| MolecularFormula | C21H15N3O2BrF3S |
| Smiles | FC(c1cccc(OCCO/N=C\c2c(-c(cc3)ccc3Br)nc3sccn23)c1)(F)F |
| InChI | InChI=1S/C21H15BrF3N3O2S/c22-16-6-4-14(5-7-16)19-18(28-8-11-31-20(28)27-19)13-26-30-10-9-29-17-3-1-2-15(12-17)21(23,24)25/h1-8,11-13H,9-10H2 |
| InChIK | JYNLQLWGNVGMNN-UHFFFAOYSA-N |
| TotalMolweight | 510.333 |
| Molweight | 510.333 |
| MonoisotopicMass | 509.002042 |
| CLogP | 6.2935 |
| CLogS | -5.734 |
| H Acceptors | 5 |
| TotalSurfaceArea | 333.1 |
| Relative PSA | 0.21252 |
| PolarSurfaceArea | 76.36 |
| Druglikeness | -11.296 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| 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-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine | 2 - (Z)-1-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]methanimine
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