3-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione
Formula:C22H17N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 3-[(Z)-(3-phenoxyphenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione |
| MolecularFormula | C22H17N3OS |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H17N3OS/c27-22-24-21(18-9-3-1-4-10-18)16-25(22)23-15-17-8-7-13-20(14-17)26-19-11-5-2-6-12-19/h1-16H,(H,24,27) |
| InChIK | SQLZDDFTIBRJDY-UHFFFAOYSA-N |
| TotalMolweight | 371.463 |
| Molweight | 371.463 |
| MonoisotopicMass | 371.109232 |
| CLogP | 4.8217 |
| CLogS | -6.514 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.22 |
| Relative PSA | 0.22004 |
| PolarSurfaceArea | 68.95 |
| Druglikeness | 3.3295 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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