(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
Formula:C22H15N4ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine |
| MolecularFormula | C22H15N4ClF2S |
| Smiles | Fc1ccc(/C=N\n2c(SCc(c(F)ccc3)c3Cl)nnc2-c2ccccc2)cc1 |
| InChI | InChI=1S/C22H15ClF2N4S/c23-19-7-4-8-20(25)18(19)14-30-22-28-27-21(16-5-2-1-3-6-16)29(22)26-13-15-9-11-17(24)12-10-15/h1-13H,14H2 |
| InChIK | OUFNIISRHFLFPT-UHFFFAOYSA-N |
| TotalMolweight | 440.904 |
| Molweight | 440.904 |
| MonoisotopicMass | 440.067399 |
| CLogP | 5.8824 |
| CLogS | -10.017 |
| H Acceptors | 4 |
| TotalSurfaceArea | 323.39 |
| Relative PSA | 0.17876 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 2.4344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine | 2 - (Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off