(Z)-4-(4-chlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
Formula:C21H19N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-chlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(4-chlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine |
| MolecularFormula | C21H19N3OClFS |
| Smiles | Fc1ccc(/C=N\N(C(c(cc2)ccc2Cl)=CS2)/C2=N/C[C@@H]2OCCC2)cc1 |
| InChI | InChI=1S/C21H19ClFN3OS/c22-17-7-5-16(6-8-17)20-14-28-21(24-13-19-2-1-11-27-19)26(20)25-12-15-3-9-18(23)10-4-15/h3-10,12,14,19H,1-2,11,13H2/t19-/m1/s1 |
| InChIK | SGUQIUPSLMFTQG-LJQANCHMSA-N |
| TotalMolweight | 415.919 |
| Molweight | 415.919 |
| MonoisotopicMass | 415.092137 |
| CLogP | 5.0566 |
| CLogS | -6.207 |
| H Acceptors | 4 |
| TotalSurfaceArea | 305.56 |
| Relative PSA | 0.17692 |
| PolarSurfaceArea | 62.49 |
| Druglikeness | 1.6561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (Z)-4-(4-chlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-chlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
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