3-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-5-phenyl-1H-imidazole-2-thione
Formula:C30H25N3O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-5-phenyl-1H-imidazole-2-thione is not a drug-like molecule.
| MolName | 3-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-5-phenyl-1H-imidazole-2-thione |
| MolecularFormula | C30H25N3O2S |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C30H25N3O2S/c36-30-32-27(26-14-8-3-9-15-26)20-33(30)31-19-25-16-17-28(34-21-23-10-4-1-5-11-23)29(18-25)35-22-24-12-6-2-7-13-24/h1-20H,21-22H2,(H,32,36) |
| InChIK | RHEFNFZEXWWJIV-UHFFFAOYSA-N |
| TotalMolweight | 491.614 |
| Molweight | 491.614 |
| MonoisotopicMass | 491.166747 |
| CLogP | 6.1223 |
| CLogS | -6.899 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 390.5 |
| Relative PSA | 0.19083 |
| PolarSurfaceArea | 78.18 |
| Druglikeness | 3.0846 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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